SCHEMBL9826437

SCHEMBL9826437

CC(C)Oc1c(Br)c(Br)n(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR2 P41597 2/20 0.40
FOLH1 Q04609 1/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
AR P10275 1/20 0.37
EDNRA P25101 1/20 0.37
PLA2G2A P14555 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
P2RX3 P56373 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9826373 0.78 CCR5 (0.34) LMNAMAPTPLA2G2ATP53POLB
SCHEMBL9825854 0.72 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL9825630 0.68 MAPT (0.52) TSHRLMNASMN1; SMN2MAPTMEN1
SCHEMBL9826071 0.68 ALDH1A1 (0.56) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL9538638 0.66 CCR2 (0.77) LMNACCR2FOLH1MAPTEDNRA
SCHEMBL3756783 0.66 NOTUM (0.44) TSHRLMNASMN1; SMN2CCR2FOLH1
SCHEMBL28829407 0.65 GSK3A (0.41) TSHRLMNASMN1; SMN2CCR2FOLH1
SCHEMBL10963476 0.65 ALDH1A1 (0.47) TSHRSMN1; SMN2MAPTHTTMEN1
SCHEMBL3001518 0.65 GSK3B (0.52) TSHRLMNASMN1; SMN2CCR2FOLH1
SCHEMBL182646 0.65 FOLH1 (0.49) TSHRLMNASMN1; SMN2CCR2FOLH1

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