SCHEMBL31512698

SCHEMBL31512698

Cc1cnn(Cc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.53
▸ TSHR P16473 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40

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
SCHEMBL29009141 0.78 NPC1 (0.47) CYP19A1TSHRL3MBTL1RAB9AGAA
SCHEMBL29009118 0.77 CYP19A1 (0.53) CYP19A1L3MBTL1RAB9AGAAPOLB
SCHEMBL17610742 0.77 CYP19A1 (0.53) CYP19A1TSHRL3MBTL1RAB9AGAA
SCHEMBL17610665 0.77 CYP19A1 (0.53) CYP19A1TSHRL3MBTL1RAB9AGAA
SCHEMBL17610724 0.73 CYP19A1 (0.53) CYP19A1TSHRL3MBTL1RAB9AGAA
SCHEMBL17610818 0.73 CACNA1H (0.52) CYP19A1
SCHEMBL29009139 0.73 RAB9A (0.51) CYP19A1L3MBTL1RAB9AGAAPOLB
SCHEMBL17610703 0.72 ALDH1A1 (0.56) CYP19A1TSHRPOLBALDH1A1LMNA
SCHEMBL29009119 0.72 CYP19A1 (0.47) CYP19A1RAB9AALDH1A1KDM4ELMNA
SCHEMBL19224705 0.71 AR (0.46) CYP19A1TSHRRAB9AALDH1A1KDM4E

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
CN-119968373-A Aromatic heterocyclic compound and preparation method thereof 上海翊石医药科技有限公司 2025-05-09 — — CN disclosed
WO-2025051214-A1 AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR 上海翊石医药科技有限公司 2025-03-13 — — WO disclosed
Send feedback