SCHEMBL6618494

SCHEMBL6618494

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ RAB9A P51151 5/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ KISS1R Q969F8 1/20 0.39
▸ LMNA P02545 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL6646084 0.98 ACKR3 (0.41) ACKR3KMT2AMEN1RAB9APOLB
SCHEMBL6616601 0.93 ACKR3 (0.48) ACKR3KMT2AMEN1RAB9APOLB
SCHEMBL6618879 0.92 SMN1; SMN2 (0.43) ACKR3KMT2AMEN1RAB9APOLB
SCHEMBL6618436 0.91 RAB9A (0.43) ACKR3KMT2AMEN1RAB9APOLB
SCHEMBL6617986 0.89 MAPT (0.43) ACKR3KMT2AMEN1RAB9APOLB
SCHEMBL6616301 0.89 ALDH1A1 (0.48) KMT2AMEN1RAB9APOLBSMN1; SMN2
SCHEMBL6620870 0.88 MAPT (0.43) ACKR3KMT2AMEN1RAB9APOLB
SCHEMBL6617884 0.88 ACKR3 (0.42) ACKR3KMT2AMEN1RAB9APOLB
SCHEMBL6618467 0.87 RAB9A (0.39) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL6621958 0.86 HDAC2 (0.44) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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