SCHEMBL7785111

SCHEMBL7785111

COc1ccc(C(N[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.45
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HPGD P15428 1/20 0.39
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL7785112 0.87 KMT2A (0.44) CASRALDH1A1KMT2AMAPTLMNA
SCHEMBL7789132 0.82 CRHBP (0.39) CASRALDH1A1KMT2AMAPTLMNA
SCHEMBL7785680 0.80 NPC1 (0.41) ALDH1A1KMT2AMAPTLMNAMITF
SCHEMBL7785173 0.80 ALDH1A1 (0.45) CASRALDH1A1KMT2AMAPTLMNA
SCHEMBL7780321 0.78 KMT2A (0.48) CASRALDH1A1KMT2AMAPTLMNA
SCHEMBL7785066 0.76 CRHBP (0.39) CASRALDH1A1KMT2AMAPTLMNA
SCHEMBL7789230 0.75 KMT2A (0.36) CASRALDH1A1KMT2AMAPTLMNA
SCHEMBL7785570 0.74 KMT2A (0.40) CASRALDH1A1KMT2AMAPTLMNA
SCHEMBL7787498 0.74 CA1 (0.34) CASRKMT2AMAPTLMNAHTT
SCHEMBL7785272 0.74 KMT2A (0.41) CASRALDH1A1KMT2AMAPTLMNA

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed