SCHEMBL6016993

SCHEMBL6016993

CCN1CCCC1CNc1nc(Nc2ccc(N(C)C)c(Cl)c2)nc(NC2CCCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
MAP3K8 P41279 2/20 0.42
SYK P43405 2/20 0.40
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSV O60911 1/20 0.38
PLAT P00750 1/20 0.38
CTSL P07711 1/20 0.38
CTSH P09668 1/20 0.38
CASP14 P31944 1/20 0.38
CASP6 P55212 1/20 0.38
CTSZ Q9UBR2 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CAMK2D Q13557 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
SCHEMBL4829503 0.94 MAP3K8 (0.42) RAB9AMAP3K8SYKTSHRSIGMAR1
SCHEMBL5471457 0.93 MAP3K8 (0.41) RAB9AMAP3K8SYKTSHRSIGMAR1
Hydrochloric Acid SCHEMBL5555480 0.93 MAP3K8 (0.41) RAB9AMAP3K8SYKTSHRSIGMAR1
Hydrochloric Acid SCHEMBL4832271 0.92 MAP3K8 (0.41) RAB9AMAP3K8SYKTSHRSIGMAR1
SCHEMBL4832147 0.92 SIGMAR1 (0.47) RAB9AMAP3K8TSHRSIGMAR1CTSS
Hydrochloric Acid SCHEMBL5438482 0.92 MAP3K8 (0.40) RAB9AMAP3K8SYKTSHRSIGMAR1
SCHEMBL14454082 0.91 RAB9A (0.39) RAB9AMAP3K8SYKTSHRSIGMAR1
SCHEMBL14421592 0.89 RAB9A (0.44) RAB9AMAP3K8TSHRSIGMAR1CTSS
SCHEMBL4829223 0.88 BCL6 (0.51) RAB9AMAP3K8CTSSCTSKCTSL
SCHEMBL4837026 0.87 BCL6 (0.44) RAB9AMAP3K8KDM4ELMNAMEN1

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-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed