SCHEMBL31306705

SCHEMBL31306705

O=C(O)Cc1cc(F)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
AGBL2 Q5U5Z8 1/20 0.49
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
CXCL8 P10145 4/20 0.45
CHRM1 P11229 1/20 0.43

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
SCHEMBL151879 1.00 TSHR (0.50) TSHRAGBL2AKR1C3AKR1C2CYP2C9
SCHEMBL30911087 0.85 MEN1 (0.52) TSHRAGBL2AKR1C3AKR1C2CYP2C9
SCHEMBL1699587 0.85 MEN1 (0.52) TSHRAGBL2AKR1C3AKR1C2CYP2C9
SCHEMBL16009828 0.85 P2RX7 (0.43) TSHRAGBL2CYP2C9ALDH1A1KDM4E
SCHEMBL29852214 0.83 ICMT (0.43) CYP2C9ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL19290104 0.83 P2RX7 (0.45) AGBL2CYP2C9ALDH1A1KDM4EMEN1
SCHEMBL5427170 0.81 FFAR1 (0.49) CYP2C9ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL24685984 0.80 P2RX7 (0.49) ALDH1A1KDM4EP2RX7ANO1
SCHEMBL29471363 0.80 TSHR (0.53) TSHRAGBL2AKR1C3AKR1C2CXCL8
SCHEMBL2578143 0.80 CXCL8 (0.57) TSHRCYP2C9ALDH1A1MEN1MAPT

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-119490451-A Compounds as positive modulators of calcium activated chloride channels TMEM16A有限公司 2025-02-21 CN disclosed
CN-111683926-B Compounds of formula (I) 企业治疗学有限公司 2024-11-08 CN disclosed