SCHEMBL10832689

SCHEMBL10832689

COc1ccc(C(=O)N2CCNC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.63
▸ KMT2A Q03164 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ HPGD P15428 1/20 0.55
▸ GPR6 P46095 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ CHRNB2 P17787 1/20 0.48

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
SCHEMBL10832770 0.84 HSD17B10 (0.52) HSD17B10KDM4EGPR6SMN1; SMN2ALDH1A1
SCHEMBL11370675 0.84 HPGD (0.58) HSD17B10KMT2AMAPTKDM4EHPGD
SCHEMBL11386026 0.82 PKM (0.51) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL11373554 0.81 HPGD (0.60) KMT2AMAPTMEN1CYP1A2CYP2D6
SCHEMBL10832384 0.81 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL10833177 0.79 ALDH1A1 (0.50) HSD17B10KMT2AMAPTHPGDGPR6
SCHEMBL10832727 0.79 MAPT (0.50) KMT2AMAPTKDM4EGPR6SMN1; SMN2
SCHEMBL9037033 0.78 ALDH1A1 (0.58) KMT2AMAPTCYP1A2CYP2C19HPGD
SCHEMBL11373667 0.78 ALDH1A1 (0.54) HSD17B10KMT2AMAPTMEN1CYP2C9
SCHEMBL7993058 0.77 KMT2A (0.46) HSD17B10KMT2AMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 — — EP disclosed
US-4269990-A CHEMICAL INTERMEDIATES FOR 1-UNSUBSTITUTED-2-(4-INDANYL- OR 5-NAPHTHYLAMINO)-2-IMIDAZOLINE, USEFUL AS DRUGS BASF AKTIENGESELLSCHAFT (DE) 1981-05-26 — — US disclosed
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