SCHEMBL7983620

SCHEMBL7983620

Cc1cccc(Cl)c1-c1ncc2c(N)nc3cc(NCC4COc5ccccc5O4)ccc3n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.39
HTT P42858 6/20 0.38
NPSR1 Q6W5P4 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPK1 P28482 4/20 0.38
NR2F2 P24468 1/20 0.38
RAB9A P51151 1/20 0.38
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GBA1 P04062 1/20 0.36
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOD2 Q9HC29 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL7983693 0.81 LCK (0.43) RAB9AMAPTTP53NPC1GAA
SCHEMBL7981780 0.80 NPC1 (0.43) HTTSMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL7981250 0.78 PDE2A (0.40)
SCHEMBL7983712 0.78 PDE2A (0.39)
SCHEMBL7982709 0.77 LCK (0.53)
SCHEMBL7970474 0.77 LCK (0.39)
SCHEMBL7983253 0.77 KDM4E (0.52) LMNAHTTNPSR1SMN1; SMN2RAB9A
SCHEMBL7982210 0.76 MAP3K8 (0.42) LMNAHTTNPSR1MAPK1ALDH1A1
SCHEMBL7987014 0.76 LCK (0.45)
SCHEMBL7981128 0.76 LCK (0.54) KMT2A

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