SCHEMBL7958613

SCHEMBL7958613

CCSc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ENPP1 P22413 3/20 0.36
PDE7A Q13946 1/20 0.36
PDE2A O00408 2/20 0.35
MBOAT4 Q96T53 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7956834 0.91 ALDH1A1 (0.38) ALDH1A1NPSR1KMT2APOLBTSHR
SCHEMBL7957250 0.89 ATM (0.43) ALDH1A1KMT2APOLBTSHRENPP1
SCHEMBL7955197 0.88 ALDH1A1 (0.37) ALDH1A1NPSR1KMT2APOLBTSHR
SCHEMBL7956372 0.87 LMNA (0.40) ALDH1A1KMT2APOLBTSHRENPP1
SCHEMBL4817458 0.87 MBOAT4 (0.36) ALDH1A1NPSR1KMT2APOLBTSHR
SCHEMBL4818800 0.86 ALDH1A1 (0.35) ALDH1A1NPSR1KMT2APOLBTSHR
SCHEMBL7955290 0.86 NPC1 (0.38) ALDH1A1NPSR1KMT2APOLBTSHR
SCHEMBL7957101 0.85 ALDH1A1 (0.36) ALDH1A1KMT2APOLBTSHRENPP1
SCHEMBL4819686 0.84 ALDH1A1 (0.37) ALDH1A1KMT2APOLBTSHRENPP1
SCHEMBL7958677 0.84 ALDH1A1 (0.37) ALDH1A1KMT2APOLBTSHRENPP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US claimed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed