SCHEMBL21093540

SCHEMBL21093540

CCCCSc1nc2cccnc2n1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HPGD P15428 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ TSHR P16473 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL21093621 0.88 ALDH1A1 (0.49) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL21189138 0.87 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851073 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851127 0.84 SLC22A12 (0.45) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL23954453 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851102 0.84 TSHR (0.52) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851103 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851100 0.79 TSHR (0.66) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL21094240 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851108 0.79 ALDH1A1 (0.40) ALDH1A1MAPK1HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495362-B1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF UNIV SHANDONG (CN) 2021-10-27 — — EP disclosed
EP-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 — — EP disclosed
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