SCHEMBL9865710

SCHEMBL9865710

O=C(NCc1ccccc1)C(Cl)(Cl)CC1(c2cc(Cl)cc(Cl)c2)CO1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP8 P22894 3/20 0.40
RIPK1 Q13546 1/20 0.39
TACR1 P25103 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSK3B P49841 2/20 0.38
CFD P00746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
METAP2 P50579 1/20 0.36

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
SCHEMBL9865234 0.77
SCHEMBL10990271 0.68 RIPK1 (0.68) MMP8RIPK1MEN1KMT2AALDH1A1
SCHEMBL9865542 0.68 SLC6A3 (0.38)
SCHEMBL181282 0.67 RIPK1 (0.61) MMP8RIPK1MEN1KMT2AALDH1A1
SCHEMBL9866573 0.65 CHRNA1 (0.31)
SCHEMBL4353325 0.64 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL6449558 0.62 MEN1 (0.56) MMP8MEN1KMT2AALDH1A1MAPT
SCHEMBL4350377 0.62 CA12 (0.66) CA12CA1CA2CA9MEN1
SCHEMBL3116602 0.62 RIPK1 (0.57) MMP8RIPK1MEN1KMT2AALDH1A1
SCHEMBL17792642 0.62 RIPK1 (0.57) MMP8RIPK1MEN1KMT2AALDH1A1

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-5006151-A Herbicides THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed
US-4929268-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-05-29 US disclosed