SCHEMBL6618170

SCHEMBL6618170

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.41
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SLC13A5 Q86YT5 1/20 0.37

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
SCHEMBL6618519 0.91 ALDH1A1 (0.42) MEN1KMT2AALDH1A1POLBCYP3A4
SCHEMBL6618768 0.91 MEN1 (0.46) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6621361 0.91 JAK2 (0.43) MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6614362 0.88 HRH3 (0.43) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL6618467 0.87 RAB9A (0.39) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL6675449 0.86 HPGD (0.43) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL6616066 0.86 KMT2A (0.39) MEN1KMT2AALDH1A1POLBCYP3A4
SCHEMBL6622866 0.86 KDM4E (0.40) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6614450 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBERCC1
SCHEMBL6617100 0.86 NPC1 (0.40) MEN1KMT2AALDH1A1POLBMAPT

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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