SCHEMBL28438151

SCHEMBL28438151

C[C@H](N)CCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.52
CYP19A1 P11511 4/20 0.51
EGLN3 Q9H6Z9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PRKCI P41743 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
QPCT Q16769 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
SCHEMBL2849098 1.00 TBXAS1 (0.52) TBXAS1CYP19A1EGLN3KDM4EALDH1A1
SCHEMBL6275031 0.89 TBXAS1 (0.59) TBXAS1CYP19A1KDM4EPRKCIQPCT
SCHEMBL439530 0.83 TBXAS1 (0.56) TBXAS1CYP19A1EGLN3PRKCIALOX15
SCHEMBL1814814 0.83 TBXAS1 (0.56) TBXAS1CYP19A1EGLN3
Hydrochloric Acid SCHEMBL18318545 0.82 TBXAS1 (0.54) TBXAS1CYP19A1EGLN3PRKCIALOX15
Water SCHEMBL28290667 0.82 TBXAS1 (0.54) TBXAS1CYP19A1EGLN3PRKCIALOX15
SCHEMBL3685246 0.82 TBXAS1 (0.54) TBXAS1CYP19A1EGLN3QPCT
Bromide SCHEMBL29287563 0.82 TBXAS1 (0.54) TBXAS1CYP19A1EGLN3PRKCIALOX15
SCHEMBL28441289 0.81 TBXAS1 (0.50) TBXAS1CYP19A1EGLN3KDM4EALDH1A1
SCHEMBL2845589 0.81 TBXAS1 (0.50) TBXAS1CYP19A1EGLN3KDM4EALDH1A1

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-111527114-B Styrene maleic acid diamine block copolymer pigment dispersant 路博润先进材料公司 2023-05-30 CN disclosed
CN-111527114-A Styrene maleic acid diamine block copolymer pigment dispersant 路博润先进材料公司 2020-08-11 CN disclosed