SCHEMBL31258343

SCHEMBL31258343

CP(C)(=S)c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27037217 0.78 NAPRT (0.41) PIK3CDNAPRTPOLBDGAT1SMN1; SMN2
SCHEMBL10522128 0.69 LMNA (0.44) CYP2A6NPC1RAB9AMAPTALDH1A1
SCHEMBL1145624 0.64 — —
SCHEMBL82409 0.64 — —
SCHEMBL1090665 0.64 SMN1; SMN2 (0.44) PIK3CDNAPRTSMN1; SMN2NPC1RAB9A
SCHEMBL1662273 0.63 PIK3CD (0.73) PIK3CDNAPRTPOLBADRA2AADRA2B
SCHEMBL29538085 0.63 — —
SCHEMBL17800 0.63 — —
SCHEMBL19726386 0.62 CYP2A6 (0.42) NAPRTCYP2A6SMN1; SMN2MAPTALDH1A1
SCHEMBL18343594 0.62 PIK3CD (0.41) PIK3CDNAPRTPOLBADRA2AADRA2B

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
CN-119855818-A Compound and application thereof in treatment of chronic hepatitis B, hepatic fibrosis and liver cancer 河北乌图药业有限公司 2025-04-18 — — CN disclosed
WO-2024217429-A1 COMPOUND AND USE THEREOF IN TREATMENT OF CHRONIC HEPATITIS B, HEPATIC FIBROSIS AND LIVER CANCER 河北乌图药业有限公司 2024-10-24 — — WO disclosed
WO-2024217452-A1 COMPOUND AND USE THEREOF IN TREATMENT OF CHRONIC HEPATITIS B, LIVER FIBROSIS, AND LIVER CANCER 河北乌图药业有限公司 2024-10-24 — — WO disclosed
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