SCHEMBL31225434

SCHEMBL31225434

CCCCc1ccc(Oc2ccc(N)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ BRCA1 P38398 1/20 0.48
▸ HBB P68871 1/20 0.48
▸ ACACB O00763 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ OPRD1 P41143 3/20 0.43
▸ OPRK1 P41145 3/20 0.43
▸ KEAP1 Q14145 1/20 0.41

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
SCHEMBL15054860 1.00 KDM4E (0.56) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL16216735 0.84 KDM4E (0.50) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL7810519 0.82 KDM4E (0.59) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL6558445 0.81 ALDH1A1 (0.54) RAB9APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL21628606 0.80 OPRM1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL15643190 0.80 KDM4E (0.65) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL20931746 0.79 KDM4E (0.79) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL7807365 0.78 KDM4E (0.55) KDM4EMEN1KMT2ARAB9APOLB
SCHEMBL5943019 0.78 RAB9A (0.44) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL21656822 0.78 GRM2 (0.57) KDM4EMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019324-A Process for preparing aminodiaryl ethers and aminodiaryl ether hydrochlorides 塞莱斯蒂亚生物技术股份公司 2024-11-26 — — CN disclosed
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