SCHEMBL28650976

SCHEMBL28650976

CCCCCCCCCCCCCCCCC(N)n1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.47
CYP17A1 P05093 4/20 0.43
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
OPRM1 P35372 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TBXA2R P21731 1/20 0.34

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
SCHEMBL28227574 1.00 TBXAS1 (0.47) TBXAS1CYP17A1PLA2G1BPLA2G2AOPRM1
SCHEMBL10770402 0.98 CYP17A1 (0.44) TBXAS1CYP17A1PLA2G1BPLA2G2AOPRM1
SCHEMBL4374035 0.93 CYP17A1 (0.49) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL2929068 0.85 CYP17A1 (0.46) TBXAS1CYP17A1CYP19A1
SCHEMBL3421199 0.82 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL19611321 0.82 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL3851254 0.82 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL9722522 0.82 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28362531 0.82 CYP17A1 (0.44) TBXAS1CYP17A1CYP19A1
SCHEMBL18885407 0.82 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6

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-113528041-A Flame-retardant antistatic protective film and preparation method thereof 江苏斯迪克新材料科技股份有限公司 2021-10-22 CN claimed
CN-113528041-A Flame-retardant antistatic protective film and preparation method thereof 江苏斯迪克新材料科技股份有限公司 2021-10-22 CN disclosed