SCHEMBL21473595

SCHEMBL21473595

C[C@@H](c1ccccc1)N1Cc2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 1/20 0.63
TSHR P16473 1/20 0.63
XIAP P98170 1/20 0.63
HKDC1 Q2TB90 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
THRB P10828 5/20 0.62
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
SDCBP O00560 1/20 0.52
SDC2 P34741 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL1585291 1.00 ALOX15 (0.63) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL2025656 0.88 KMT2A (0.61) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL31667158 0.88 NPC1 (0.54) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL2023868 0.88 KMT2A (0.61) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL2025654 0.88 KMT2A (0.61) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL2025776 0.87 ALOX15 (0.53) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL2026146 0.87 MEN1 (0.52) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL23424756 0.85 ALOX15 (0.61) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL120182 0.82 ALOX15 (0.57) ALOX15KDM4EALDH1A1TSHRXIAP
SCHEMBL21929812 0.82 SDCBP (0.54) ALOX15KDM4EALDH1A1TSHRXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019196938-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF 华东理工大学 2019-10-17 WO disclosed