SCHEMBL16891850

SCHEMBL16891850

CC(=O)Cn1cc(CI)nn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NOTUM Q6P988 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GUSB P08236 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HDAC1 Q13547 2/20 0.32
ITGAV P06756 1/20 0.32
ITGB5 P18084 1/20 0.32
HSP90AB1 P08238 2/20 0.32
MAPT P10636 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
SCHEMBL18235987 0.84 POLB (0.38) POLBKMT2ASRCALDH1A1NOTUM
SCHEMBL15257805 0.82 MAOA (0.43) POLBKMT2ASRCALDH1A1NOTUM
SCHEMBL13878324 0.81 CYP19A1 (0.51) POLBKMT2AALDH1A1
SCHEMBL25836730 0.81 POLB (0.56) POLBKMT2AALDH1A1HDAC1
SCHEMBL25836729 0.81 SRC (0.38) POLBKMT2ASRCALDH1A1HSP90AB1
SCHEMBL7963203 0.78 NOTUM (0.49) NOTUM
SCHEMBL15495572 0.78 SRC (0.36) POLBKMT2ASRCALDH1A1NPC1
SCHEMBL24276636 0.77 HDAC1 (0.48) ALDH1A1HDAC1
SCHEMBL13437076 0.77 FOLH1 (0.46) POLBKMT2AALDH1A1HDAC1
SCHEMBL24276661 0.76 EPHX2 (0.47) ALDH1A1HDAC1

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-2015100498-A1 COMPOSITIONS AND METHODS FOR IMAGING CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-07-09 WO disclosed