SCHEMBL6280070

SCHEMBL6280070

C=CCN1C(C=Cc2ccccc2)C(=O)Nc2ccccc2C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.42
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
IDO1 P14902 3/20 0.34
ALOX12 P18054 1/20 0.33
TDO2 P48775 2/20 0.33
BRD4 O60885 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
SCHEMBL6280077 1.00 PRCP (0.42) PRCPMAPTALDH1A1MEN1MAPK1
SCHEMBL6280066 1.00 PRCP (0.42) PRCPMAPTALDH1A1MEN1MAPK1
SCHEMBL6284988 0.74 PRCP (0.44) PRCPMAPTALDH1A1MEN1MAPK1
SCHEMBL6289026 0.64 ACHE (0.42) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL6243496 0.63 IDO1 (0.46) MAPTALDH1A1GAAKDM4EIDO1
SCHEMBL29915930 0.63 HTR5A (0.43) ALDH1A1KMT2AIDO1BRD4CREBBP
SCHEMBL2520126 0.63 HTR5A (0.43) ALDH1A1KMT2AIDO1BRD4CREBBP
SCHEMBL1455790 0.62 IDO1 (0.58) MAPTALDH1A1GAAKDM4EIDO1
Hydrochloric Acid SCHEMBL5711485 0.62 HTR5A (0.42) ALDH1A1KMT2AIDO1BRD4CREBBP
SCHEMBL260994 0.60 BRPF1 (0.53) MAPTALDH1A1GAAKDM4EIDO1

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
US-6927294-B1 Nitrogen-containing heterocycles UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-08-09 US disclosed