SCHEMBL9826543

SCHEMBL9826543

CCOc1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 4/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 3/20 0.49
PTPRF P10586 1/20 0.49
PTPN1 P18031 1/20 0.49
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PLA2G1B P04054 1/20 0.48

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
SCHEMBL9826618 0.88 MAPT (0.60) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3910841 0.84 PTPN1 (0.53) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6261175 0.84 MEN1 (0.55) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL10447802 0.82 TUBB4A (0.57) MAPTALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL9874861 0.81 TUBB4A (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21939130 0.77 TSHR (0.45) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9826395 0.77 MAPT (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3585269 0.75 KDM4E (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3916115 0.75 IKBKB (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL20562755 0.75 HPGD (0.36) MAPTALDH1A1HPGDMEN1KMT2A

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
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed