SCHEMBL6636776

SCHEMBL6636776

O=C(N/N=C\c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.73
▸ IKBKB O14920 1/20 0.72
▸ ESR1 P03372 1/20 0.68
▸ ESRRG P62508 1/20 0.68
▸ ESR2 Q92731 1/20 0.68
▸ RAB9A P51151 7/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ MEN1 O00255 5/20 0.66
▸ HDAC3 O15379 1/20 0.65
▸ HDAC2 Q92769 1/20 0.65
▸ HDAC8 Q9BY41 1/20 0.65
▸ NCOR2 Q9Y618 1/20 0.65
▸ NPC1 O15118 4/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ SIRT1 Q96EB6 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1563547 1.00 DNM1 (0.73) DNM1IKBKBESR1ESRRGESR2
SCHEMBL1563549 1.00 DNM1 (0.73) DNM1IKBKBESR1ESRRGESR2
SCHEMBL8769045 0.93 DNM1 (0.76) DNM1IKBKBESR1ESRRGESR2
SCHEMBL1563601 0.90 ESRRG (0.85) DNM1IKBKBESR1ESRRGESR2
SCHEMBL6634693 0.90 ESRRG (0.85) DNM1IKBKBESR1ESRRGESR2
SCHEMBL1563599 0.90 ESRRG (0.85) DNM1IKBKBESR1ESRRGESR2
SCHEMBL1563731 0.86 DNM1 (0.67) DNM1IKBKBESR1ESRRGESR2
SCHEMBL6635676 0.86 DNM1 (0.67) DNM1IKBKBESR1ESRRGESR2
SCHEMBL1563733 0.86 DNM1 (0.67) DNM1IKBKBESR1ESRRGESR2
SCHEMBL13569020 0.86 ESR1 (0.89) DNM1IKBKBESR1ESRRGESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130344165-A1 JAB1 INHIBITORY COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-12-26 — — US claimed
WO-2012116137-A2 JAB1 BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-08-30 — — WO claimed
US-12377194-B2 JAB1 inhibitory compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2025-08-05 — — US disclosed
US-20220023506-A1 JAB1 Inhibitory Compositions for Ossification and Methods Related Thereto EMORY UNIVERSITY 2022-01-27 — — US disclosed
US-11179500-B2 JAB1 inhibitory compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2021-11-23 — — US disclosed
US-20130344165-A1 JAB1 INHIBITORY COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-12-26 — — US disclosed
WO-2012116137-A2 JAB1 BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-08-30 — — WO disclosed
EP-0909788-B1 RUBBER COMPOSITION AND PNEUMATIC TIRES BRIDGESTONE CORP (JP) 2004-12-01 — — EP disclosed
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 — — EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 — — US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 — — EP disclosed
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