SCHEMBL6616778

SCHEMBL6616778

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCCc3ccccc3)n2)c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.37
▸ CHRNA7 P36544 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
SCHEMBL6619573 0.95 JAK2 (0.43) JAK2JAK3ALDH1A1SMN1; SMN2LMNA
SCHEMBL6618491 0.91 MEN1 (0.45) JAK3ALDH1A1SMN1; SMN2ALOX12POLB
SCHEMBL6620003 0.89 RAB9A (0.39) ALDH1A1SMN1; SMN2POLBRAB9ANPC1
SCHEMBL6603917 0.88 CHRNA7 (0.36) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL6620553 0.88 RAB9A (0.42) ALDH1A1LMNAPOLBRAB9ANPC1
SCHEMBL6620531 0.88 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CCR5RAB9ANPC1
SCHEMBL6615757 0.87 KDM4C (0.40) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL6617649 0.87 RAB9A (0.43) LMNARAB9AKDM4E
SCHEMBL6615568 0.87 MAPT (0.43) ALDH1A1SMN1; SMN2LMNAALOX12RAB9A
SCHEMBL6618768 0.86 MEN1 (0.46) JAK3ALDH1A1SMN1; SMN2ALOX12POLB

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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