SCHEMBL9302790

SCHEMBL9302790

c1ccc2c(Cn3nnc4ccccc43)cccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ ALDH1A1 P00352 1/20 1.00
▸ LMNA P02545 1/20 1.00
▸ TP53 P04637 1/20 1.00
▸ TSHR P16473 1/20 1.00
▸ MAPT P10636 1/20 0.69
▸ KCNMA1 Q12791 1/20 0.63
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ BRD4 O60885 1/20 0.58
▸ SLC9A1 P19634 4/20 0.57
▸ GRM2 Q14416 2/20 0.57
▸ ATM Q13315 1/20 0.56
▸ FAAH O00519 1/20 0.54
▸ MGLL Q99685 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ PKM P14618 1/20 0.51
▸ PTK2 Q05397 2/20 0.49
▸ KDM4E B2RXH2 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
SCHEMBL14307551 0.82 HPGD (0.70) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL8045378 0.82 KMT2A (0.70) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL3552907 0.78 KCNMA1 (0.67) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL9303187 0.78 KCNMA1 (0.67) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL3878065 0.77 KCNMA1 (0.80) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL13896899 0.74 KCNMA1 (0.61) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL2734889 0.73 GRM2 (1.00) ALDH1A1MAPTKCNMA1NPC1RAB9A
SCHEMBL859704 0.73 GAA (0.69) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL30368818 0.72 GAA (0.66) HPGDKMT2AALDH1A1LMNATP53
SCHEMBL9305191 0.72 GAA (0.66) HPGDKMT2AALDH1A1LMNATP53

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
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 — — US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 — — US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 — — WO disclosed
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