SCHEMBL11508548

SCHEMBL11508548

N#CNc1cccc(-c2nnc(-c3cccc(NC#N)c3)o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 10/20 0.51
▸ NPC1 O15118 9/20 0.51
▸ SMN1; SMN2 Q16637 9/20 0.51
▸ RAB9A P51151 8/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ HPGD P15428 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TP53 P04637 3/20 0.46
▸ MECP2 P51608 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ LCLAT1 Q6UWP7 1/20 0.45

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
SCHEMBL3655555 0.76 NPC1 (0.67) TSHRNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL8985182 0.76 ALDH1A1 (0.42) TSHRSMN1; SMN2KDM4ECYP3A4MEN1
SCHEMBL3610229 0.72 NOTUM (0.67) TSHRNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL14378791 0.70 NPC1 (0.81) TSHRNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL11508434 0.69 BRAF (0.37) NPC1SMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL11507047 0.69 HSD17B1 (0.49) SMN1; SMN2KDM4EMEN1KMT2AMAPK1
SCHEMBL3943459 0.69 BRAF (0.33) SMN1; SMN2MEN1KMT2AMAPK1HPGD
SCHEMBL12306757 0.69 NPC1 (0.77) TSHRNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL11635661 0.68 NPC1 (0.56) TSHRNPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL2295342 0.67 KMT2A (0.53) TSHRNPC1SMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150051-A N-Cyanosulfonamide compounds CIBA-GEIGY CORPORATION (US) 1979-04-17 — — US disclosed
US-4080483-A COATINGS, MOLDING MATERIALS, LAMINATION CIBA-GEIGY CORPORATION (US) 1978-03-21 — — US disclosed
US-4075185-A ADDITION POLYMERIZATION CIBA-GEIGY CORPORATION (US) 1978-02-21 — — US disclosed
US-4049711-A POLYSULFONAMIDE MONOMERS CIBA-GEIGY CORPORATION (US) 1977-09-20 — — US disclosed
US-3944526-A N-cyanosulfonamide resins and intermediates therefor and products thereof CIBA-GEIGY CORPORATION (US) 1976-03-16 — — US disclosed
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