SCHEMBL3746336

SCHEMBL3746336

COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CCCl)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSP90AA1 P07900 1/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
NTRK1 P04629 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
MGLL Q99685 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL3748969 0.85 TOP1 (0.51) TOP1LMNAKDM4EALDH1A1HPGD
SCHEMBL8810834 0.83 CYP1A2 (0.53) TOP1ALDH1A1USP2POLBNTRK1
SCHEMBL3738458 0.80 TOP1 (0.64) TOP1NTRK1TSHR
SCHEMBL3736280 0.78 TOP1 (0.48) TOP1LMNAHSD17B10NTRK1TSHR
SCHEMBL3736256 0.77 RECQL (0.47) TOP1MAPTKMT2AMAPK1GAA
SCHEMBL16895266 0.76 ABCG2 (0.53) TOP1KDM4EALDH1A1USP2MAPT
SCHEMBL3741092 0.76 TOP1 (0.56) TOP1LMNAKDM4EALDH1A1HPGD
SCHEMBL3741087 0.76 TOP1 (0.56) TOP1LMNAKDM4EALDH1A1HPGD
SCHEMBL16895272 0.72 NPC1 (0.51) LMNAKDM4EPOLBMAPTHTT
SCHEMBL16904338 0.72 FABP3 (0.49) LMNAKDM4EALDH1A1HPGDMAPT

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-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed