SCHEMBL1912853

SCHEMBL1912853

CCCCc1c(-c2ccccc2)nn(C)c1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR1H3 Q13133 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 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
SCHEMBL1912784 0.88 SMN1; SMN2 (0.51) HSD11B1TSHRSMN1; SMN2POLBNPSR1
SCHEMBL23398972 0.82 SMN1; SMN2 (0.47) HSD11B1TSHRSMN1; SMN2POLBNPSR1
SCHEMBL23398696 0.79 HSD11B1 (0.43) HSD11B1TSHRSMN1; SMN2NR1H3MAPT
SCHEMBL16381208 0.76 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDCASP1
SCHEMBL23398949 0.74 RECQL (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDCASP1
SCHEMBL1912785 0.74 CYP1A2 (0.50) SMN1; SMN2ALDH1A1HPGDATMHSD17B10
SCHEMBL11708100 0.74 SMN1; SMN2 (0.50) TSHRSMN1; SMN2ALDH1A1KDM4ECASP1
SCHEMBL23398563 0.74 ESR1 (0.47) HSD11B1TSHRCASP1CASP7NR1H3
SCHEMBL23400892 0.74 MEN1 (0.51) HSD11B1TSHRKDM4ECASP1CASP7
SCHEMBL23399565 0.73 HSD11B1 (0.47) HSD11B1TSHRALDH1A1KDM4EHPGD

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed