SCHEMBL7418783

SCHEMBL7418783

Cc1c([C@@](C)(NCC(=O)O)C(=O)N2CCCC2)ccc2[nH]c(CNc3ccc(C(=N)NC(=O)c4ccccc4)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
KLK1 P06870 2/20 0.34
KLK5 Q9Y337 2/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
PTGES O14684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7447260 0.94 F2 (0.41) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7415098 0.93 RAB9A (0.41) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7417541 0.92 F2 (0.39) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7452481 0.92 F2 (0.39) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7420260 0.92 F2 (0.39) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7423799 0.91 F2 (0.38) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7419831 0.91 F2 (0.38) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7450699 0.91 F2 (0.38) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7420225 0.91 F2 (0.38) F2F10ALDH1A1RAB9ANPC1
SCHEMBL7419861 0.90 F2 (0.37) F2F10ALDH1A1RAB9ANPC1

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-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP disclosed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed