SCHEMBL6640777

SCHEMBL6640777

O=C(NNC(=O)c1cccc2ccccc12)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.68
▸ HPGD P15428 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ RAB9A P51151 2/20 0.65
▸ MMP3 P08254 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ PLK1 P53350 1/20 0.54
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KDM4A O75164 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ KDM4C Q9H3R0 1/20 0.52
▸ DEGS1 O15121 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.51
▸ EP300 Q09472 1/20 0.51
▸ PRMT1 Q99873 1/20 0.51

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
SCHEMBL6635701 0.85 MMP3 (0.74) ALDH1A1HPGDSMN1; SMN2RAB9AMMP3
SCHEMBL6633131 0.83 ALDH1A1 (0.82) ALDH1A1HPGDSMN1; SMN2RAB9AMMP3
SCHEMBL6640806 0.83 NPC1 (0.62) ALDH1A1RAB9AHDAC3HDAC1HDAC2
SCHEMBL13381518 0.80 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2RAB9AMMP3
SCHEMBL9856895 0.80 CDC25B (0.56) ALDH1A1HPGDSMN1; SMN2MMP3HDAC8
SCHEMBL6632473 0.80 RAB9A (0.52) ALDH1A1RAB9AHDAC3HDAC1HDAC2
SCHEMBL13576562 0.80 DEGS1 (0.75) ALDH1A1HPGDSMN1; SMN2RAB9AMMP3
SCHEMBL2614258 0.80 RAB9A (0.64) SMN1; SMN2RAB9AHDAC3HDAC1HDAC2
SCHEMBL5639487 0.78 DEGS1 (0.73) ALDH1A1RAB9AHDAC3HDAC1HDAC2
SCHEMBL27641548 0.78 HDAC3 (0.63) RAB9AHDAC8HDAC3HDAC1HDAC2

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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