SCHEMBL6632473

SCHEMBL6632473

O=C(NNc1cccc2ccccc12)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ DEGS1 O15121 1/20 0.50
▸ CHEK1 O14757 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6634130 0.84 NPC1 (0.70) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6640777 0.80 ALDH1A1 (0.68) RAB9AHDAC3HDAC1HDAC2DEGS1
SCHEMBL6632475 0.78 DEGS1 (0.64) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL6636668 0.78 PTGS2 (0.65) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL28415085 0.77 GAA (0.55) RAB9ANPC1HDAC1CYP1A2CYP3A4
SCHEMBL27899528 0.77 KDM4E (0.58) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL27641548 0.77 HDAC3 (0.63) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL2614258 0.75 RAB9A (0.64) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL6635094 0.74 KDM4E (0.58) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5432538 0.74 CES2 (0.57) RAB9ANPC1HDAC3HDAC1HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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