SCHEMBL30968903

SCHEMBL30968903

Nc1ccc(-c2cccs2)nc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.59
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 4/20 0.59
▸ HPGD P15428 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ NPC1 O15118 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ RAB9A P51151 7/20 0.53
▸ ADORA2A P29274 3/20 0.51
▸ ADORA1 P30542 3/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ CASP3 P42574 1/20 0.47

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
SCHEMBL16686134 1.00 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL11909835 0.78 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL27340756 0.78 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL23207366 0.78 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL9978534 0.78 ADORA2A (0.60) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL16438246 0.75 KDM4E (0.71) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL28318666 0.75 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL16685892 0.75 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL498897 0.74 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL11364912 0.73 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1MAPT

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
CN-118059093-A Inhibitors of short chain dehydrogenase activity for the treatment of fibrosis 卡斯西部储备大学 2024-05-24 — — CN disclosed
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