SCHEMBL7982214

SCHEMBL7982214

Cc1cccc(Cl)c1-c1cc(NCC2CCCO2)cc2c1nc(N)c1cncn12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CCNT1 O60563 3/20 0.40
LCK P06239 9/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
TNK2 Q07912 1/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL7983674 0.92 ALDH1A1 (0.41) ALDH1A1LMNACCNT1LCKMAPT
SCHEMBL7970478 0.88 LCK (0.41) LCK
SCHEMBL7969910 0.87 LCK (0.40) CCNT1LCK
SCHEMBL7983065 0.83 LCK (0.52) LCK
SCHEMBL7983242 0.82 LCK (0.42) LCK
SCHEMBL7983651 0.80 LCK (0.59) ALDH1A1LMNACCNT1LCKTDP1
SCHEMBL7983561 0.80 LCK (0.47) LCK
SCHEMBL7980193 0.80 LCK (0.39) LCKRAB9A
SCHEMBL7984051 0.79 LCK (0.45) LCK
SCHEMBL7979958 0.79 LCK (0.56) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed