SCHEMBL9719981

SCHEMBL9719981

Cc1ccc2nc(NC(=O)O)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.68
TUBB P07437 1/20 0.68
TUBA3C P0DPH7 1/20 0.68
TUBA1B P68363 1/20 0.68
TUBA4A P68366 1/20 0.68
TUBB4B P68371 1/20 0.68
TUBB3 Q13509 1/20 0.68
TUBB2A Q13885 1/20 0.68
TUBB8 Q3ZCM7 1/20 0.68
TUBA3E Q6PEY2 1/20 0.68
TUBA1A Q71U36 1/20 0.68
TUBA1C Q9BQE3 1/20 0.68
TUBB6 Q9BUF5 1/20 0.68
TUBB2B Q9BVA1 1/20 0.68
TUBB1 Q9H4B7 1/20 0.68
PIN1 Q13526 1/20 0.62
ADORA2A P29274 2/20 0.57
RAB9A P51151 3/20 0.57
HTT P42858 3/20 0.57
LMNA P02545 3/20 0.57

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
SCHEMBL8029056 0.89 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14189686 0.88 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719979 0.87 NPC1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11402164 0.86 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15448399 0.86 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14189684 0.85 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15448410 0.85 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14189685 0.83 ABL1 (0.81) ABL1
SCHEMBL31388533 0.83 MAPT (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6126187 0.83 EGLN1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 4 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