SCHEMBL9262004

SCHEMBL9262004

CNc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
AGT P01019 2/20 0.36
TSHR P16473 2/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KCNN4 O15554 2/20 0.31
MEN1 O00255 1/20 0.31
APP P05067 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30

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
SCHEMBL27531698 0.89 AGTR1 (0.40) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL30956037 0.86 AGTR1 (0.51) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL635 0.86 AGTR1 (0.51) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL8698703 0.86 AGTR1 (0.47) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL6532773 0.82 AGTR1 (0.46) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL13146764 0.82 AGTR1 (0.55) AGTR1AGTR2AGTTSHRKIF11
SCHEMBL4672053 0.81 AGTR1 (0.47) AGTR1AGTR2AGTALDH1A1
SCHEMBL9024777 0.80 AGTR1 (0.51) AGTR1AGTR2AGTTSHRKIF11
SCHEMBL30316147 0.80 AGTR1 (0.51) AGTR1AGTR2AGTTSHRKIF11
SCHEMBL9025749 0.80 AGTR1 (0.43) AGTR1AGTR2TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407942-A For treating hypertension, atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed