SCHEMBL10696789

SCHEMBL10696789

COc1ccc(CN2CCN(CCCl)CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 3/20 0.56
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53
EBP Q15125 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
TMEM97 Q5BJF2 1/20 0.52

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
SCHEMBL1600111 0.89 KMT2A (0.65) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL18182316 0.83 MAPK1 (0.72) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL16884151 0.82 GAA (0.63) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL13886164 0.81 CRHBP (0.73) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL28191613 0.81 GAA (0.66) KMT2AMEN1KDM4EALDH1A1MAPK1
Benzene SCHEMBL27460524 0.80 EBP (0.61) KMT2AMEN1KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL8082237 0.80 SIGMAR1 (0.76) NPC1RAB9AEBPSIGMAR1TMEM97
Hydrochloric Acid SCHEMBL8075031 0.80 SIGMAR1 (0.76) KMT2AEBPSIGMAR1TMEM97
SCHEMBL26113758 0.80 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL10526530 0.79 SMN1; SMN2 (0.74) KMT2AMEN1KDM4EMAPK1TP53

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-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP disclosed