SCHEMBL9307003

SCHEMBL9307003

Cc1cc2nc(C(CC(=O)O)C(O)=S)[nH]c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40

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
SCHEMBL9306997 0.89 MEN1 (0.42) HSD17B10TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9306991 0.80 HSD17B10 (0.49) HSD17B10TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6063469 0.78 KMT2A (0.54) MAPTKMT2A
Methylamine SCHEMBL10866959 0.77 KMT2A (0.54) MAPTKMT2ATDP1
SCHEMBL9306401 0.77 CACNA1H (0.38) EGLN1
Ammonia Solution, Strong SCHEMBL10866540 0.77 KMT2A (0.53) MAPTKMT2A
Dimethylamine SCHEMBL10893464 0.76 KMT2A (0.53) MAPTKMT2A
Diethylamine SCHEMBL10868574 0.74 KMT2A (0.50) MAPTKMT2A
SCHEMBL9304179 0.73 GAA (0.41) HSD17B10MAPTKDM4ELMNA
SCHEMBL9304136 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed