SCHEMBL16655998

SCHEMBL16655998

C/C(C(N)=O)=C(\C(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRD1 P41143 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 1/20 0.39
KHK P50053 1/20 0.38
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.37
ABCC1 P33527 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL16656002 0.90 SIGMAR1 (0.55) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL18921779 0.82 SIGMAR1 (0.57) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL18921784 0.82 SIGMAR1 (0.57) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL16655743 0.76 SIGMAR1 (0.53) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL7837595 0.75 SIGMAR1 (0.68) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL14677020 0.74 TSHR (0.50) POLBALDH1A1TSHRHSD17B10PARP1
SCHEMBL14677026 0.74 TSHR (0.50) POLBALDH1A1TSHRHSD17B10PARP1
SCHEMBL27784860 0.73 SIGMAR1 (0.60) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL27763342 0.72 SIGMAR1 (0.55) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL937374 0.72 TSHR (0.48) POLBALDH1A1TSHRHSD17B10KMT2A

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
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed