SCHEMBL28035552

SCHEMBL28035552

Cc1nc(-c2ccccc2)ncc1CCBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.38
HPGDS O60760 2/20 0.38
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 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
SCHEMBL10490466 0.87 KMT2A (0.42) TKTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18764366 0.85 SMN1; SMN2 (0.43) TKTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11982021 0.81 SMN1; SMN2 (0.49) TKTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL120535 0.80 TKT (0.46) TKTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12775821 0.77 KMT2A (0.41) TKTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1520898 0.76 SMN1; SMN2 (0.44) TKTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6850660 0.76 SMN1; SMN2 (0.42) TKTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3116021 0.74 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL27905191 0.73 LMNA (0.39) TKTLMNACYP1A2
SCHEMBL3116025 0.73 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903296-A Dihydropyrazole GPR40 modulators BRISTOL MYERS SQUIBB CO 2015-09-09 CN disclosed