SCHEMBL10698920

SCHEMBL10698920

O=C1Cc2cc3nc(-c4cccnc4)[nH]c3cc2N1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
STAT1 P42224 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.45
CYP11B1 P15538 1/20 0.45
HSD17B10 Q99714 1/20 0.44
LDHA P00338 1/20 0.44
EPHX2 P34913 1/20 0.44
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL10698951 0.88 MAPT (0.52) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL10695333 0.84 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL10698699 0.83 TOP1 (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10BMPR1B
SCHEMBL10534922 0.82 MAPT (0.47) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL10700944 0.81 CBFB (0.54) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL10701672 0.78 MAPT (0.48) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL10697571 0.78 MAPT (0.48) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL10698954 0.76 CYP11B1 (0.48) MAPTCYP11B1BMPR1BBMPR1ATGFBR1
SCHEMBL10698172 0.75 RHEB (0.49) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL10532390 0.74 MAPT (0.46) MAPTALDH1A1KDM4EHPGDRAB9A

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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed