SCHEMBL31576010

SCHEMBL31576010

C=CCc1cnccc1NC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CETP P11597 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL31438982 0.83 CYP17A1 (0.43) RAB9ACA12CA1CA2CA9
SCHEMBL30660453 0.83 CYP17A1 (0.43) RAB9ACA12CA1CA2CA9
SCHEMBL26931174 0.82 CA12 (0.38) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4153508 0.74 TSHR (0.49) TSHRKDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL1190850 0.74 TSHR (0.49) TSHRKDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL9659435 0.74 ALDH1A1 (0.45) TSHRKDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL9650280 0.74 KDM4C (0.46) TSHRSMN1; SMN2NPC1RAB9AAAK1
SCHEMBL9039809 0.74 BRS3 (0.47) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9042912 0.74 KDM6B (0.43) TSHRKDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL2513360 0.74 TSHR (0.46) TSHRKDM4EL3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025491-A Salt response type high-temperature-resistant water-based drilling fluid tackifier, preparation method and application 中国石油天然气集团有限公司 2025-05-23 CN claimed
CN-120020157-A Ultra-high temperature resistant water-based drilling fluid filtrate reducer and preparation method and application thereof 中国石油天然气集团有限公司 2025-05-20 CN claimed
CN-120025491-A Salt response type high-temperature-resistant water-based drilling fluid tackifier, preparation method and application 中国石油天然气集团有限公司 2025-05-23 CN disclosed
CN-120020157-A Ultra-high temperature resistant water-based drilling fluid filtrate reducer and preparation method and application thereof 中国石油天然气集团有限公司 2025-05-20 CN disclosed