SCHEMBL31332242

SCHEMBL31332242

CCc1ccc(C(N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.48
▸ F2 P00734 2/20 0.47
▸ TP53 P04637 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLAU P00749 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ LPL P06858 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL14733309 0.84 TSHR (0.54) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL14840584 0.84 TSHR (0.54) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL4800119 0.82 ADRB2 (0.52) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL12808597 0.82 ADRB2 (0.52) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL8284919 0.82 ADRB2 (0.52) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL19198643 0.80 CA2 (0.47) TAAR1F2CA2LPLLIPG
Hydrochloric Acid SCHEMBL4936167 0.80 TSHR (0.50) TSHRMAPK1ATMTDP1L3MBTL1
Hydrochloric Acid SCHEMBL21879619 0.80 TSHR (0.50) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL14169041 0.80 SLC6A4 (0.57) TSHRMAPK1ATMTDP1L3MBTL1
Hydrochloric Acid SCHEMBL28665206 0.80 TSHR (0.50) TSHRMAPK1ATMTDP1L3MBTL1

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-119529654-A Carbon dioxide-based polyurethane coating and preparation method thereof 山东联欣环保科技有限公司 2025-02-28 — — CN disclosed
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