SCHEMBL10792018

SCHEMBL10792018

Cc1nc(Cc2ccccc2C)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.40
AR P10275 1/20 0.40
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TYMP P19971 1/20 0.39
LTA4H P09960 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HTR6 P50406 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
USP2 O75604 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL10792269 0.86 GPR84 (0.38) SMN1; SMN2EGFRP2RX7ALDH1A1TAAR1
SCHEMBL10792280 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ARALDH1A1HTR2CHTR2B
SCHEMBL10795503 0.80 TAAR1 (0.46) ARALDH1A1TAAR1USP2GPR84
SCHEMBL10790886 0.79 GAA (0.49) ALDH1A1HPGDTAAR1
SCHEMBL6247431 0.78 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL82538 0.78 TAAR1 (0.43) SMN1; SMN2ALDH1A1HPGDTAAR1
SCHEMBL9219681 0.77 GPR84 (0.61) ALDH1A1HTR6GPR84
Water SCHEMBL10981448 0.76 TAAR1 (0.42) SMN1; SMN2ALDH1A1HPGDTAAR1
Fluoride SCHEMBL28059937 0.75 TAAR1 (0.41) SMN1; SMN2ALDH1A1HPGDTAAR1
SCHEMBL10792457 0.75 SMN1; SMN2 (0.35) SMN1; SMN2P2RX7ALDH1A1GPR84

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-RE32400-E Substituted imidazole derivatives and their use as anti-thrombosis agents FARMOS YHTYMA OY (FI) 1987-04-14 US disclosed
US-4514412-A HYPOTENSIVES, BETA BLOCKERS FARMOS YHTYMA OY (FI) 1985-04-30 US disclosed
EP-0058047-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1984-11-07 EP disclosed