SCHEMBL31073503

SCHEMBL31073503

Cc1nnc(C)c2cscc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14299139 0.71 CCR1 (0.33) ALDH1A1TSHRKDM4E
SCHEMBL16449707 0.67 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL89446 0.65 SMN1; SMN2 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8404420 0.65 CYP1A2 (0.47) ALDH1A1TSHRKMT2AKDM4ESMN1; SMN2
SCHEMBL12967591 0.65 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL13841393 0.64 IRAK4 (0.41) ALDH1A1TSHRKDM4E
SCHEMBL12303983 0.63 ADORA2A (0.54) TSHR
SCHEMBL16276754 0.62 ADORA2A (0.33) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31073495 0.62 MEN1 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL14985414 0.62 MAPT (0.34) ALDH1A1TSHRKDM4ESMN1; SMN2

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-118620160-A Diazolyl sp2Carbon conjugated polymer and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-09-10 CN claimed
CN-118620160-A Diazolyl sp2Carbon conjugated polymer and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-09-10 CN disclosed