SCHEMBL9719979

SCHEMBL9719979

Cc1ccc2[nH]c(NC(=O)O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PKM P14618 2/20 0.54
OPRK1 P41145 1/20 0.54
KLF5 Q13887 1/20 0.54
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53

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
SCHEMBL130615 0.89 LMNA (0.65) NPC1RAB9APKMOPRK1KLF5
SCHEMBL9719981 0.87 TUBB4A (0.68) NPC1RAB9APKMOPRK1KLF5
SCHEMBL11402160 0.86 TUBB4A (0.60) NPC1RAB9APKMOPRK1KLF5
SCHEMBL4637243 0.84 NPC1 (0.48) NPC1RAB9APKMOPRK1KLF5
SCHEMBL12952573 0.84 TUBB4A (0.48) NPC1RAB9APKMOPRK1KLF5
SCHEMBL11549633 0.83 NPC1 (0.56) NPC1RAB9APKMOPRK1KLF5
SCHEMBL29074383 0.83 RAB9A (0.53) NPC1RAB9APKMOPRK1KLF5
SCHEMBL4686558 0.81 MEN1 (0.52) NPC1RAB9APKMOPRK1KLF5
SCHEMBL29006649 0.80 ABL1 (0.56) NPC1RAB9APKMOPRK1KLF5
SCHEMBL11552199 0.80 TUBB4A (0.53) NPC1RAB9APKMKLF5TUBB4A

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-5086048-A 1,2,4-triazole of phenoxyether-ketones and phenoxyether-alkanols and copper complexes BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4990528-A Mixture of fungicidal agents BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4888349-A 1,2,4-TRIAZOLE DERIVATIVES OF PHENOXYKETONES OR ALKANOLS MIXED WITH IMIDAZOLE DERIVATIVES OF PHENYL SUBSTITUTED UNSATURATED ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-19 US disclosed
US-4514402-A 1,2,4-TRIAZOLE AND QUINOXALINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-04-30 US disclosed
US-4173632-A Fasciolicidal compositions E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed