SCHEMBL8475916

SCHEMBL8475916

CN(C)CCn1c(C(=O)NCc2ccccn2)c(C(c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 6/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
PKM P14618 1/20 0.49
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
USP2 O75604 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8583082 0.94 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATSHRPKM
SCHEMBL8472328 0.91 KCNA5 (0.40) ALDH1A1KDM4ELMNATSHRPKM
SCHEMBL8475172 0.89 ALDH1A1 (0.42) ALDH1A1KDM4ELMNATSHRPKM
SCHEMBL8472191 0.85 TAS1R3 (0.39) ALDH1A1KDM4ELMNATSHRPKM
SCHEMBL8475687 0.84 EGFR (0.48) ALDH1A1KDM4ELMNATSHRHTT
Hydrochloric Acid SCHEMBL8476884 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHTTMAPT
SCHEMBL8475467 0.83 PYGM (0.49) ALDH1A1KDM4ELMNATSHRPKM
SCHEMBL8477309 0.82 EGFR (0.42) ALDH1A1KDM4ETSHRHTTMAPT
Hydrochloric Acid SCHEMBL8475186 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL8476051 0.81 RXFP1 (0.48) ALDH1A1KDM4ELMNATSHRPKM

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-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed