SCHEMBL30151317

SCHEMBL30151317

Cc1cc(Cl)nc(NC(=O)Nc2ccc(OC(F)(F)F)c(C)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.58
▸ EPHX2 P34913 2/20 0.50
▸ KDR P35968 3/20 0.47
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ IGF1R P08069 2/20 0.43
▸ IDH1 O75874 3/20 0.43
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ BRAF P15056 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ GSTO1 P78417 1/20 0.40

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
SCHEMBL19900334 1.00 KMT2A (0.58) KMT2AEPHX2KDRHTR2AHTR2C
SCHEMBL19900302 0.91 KMT2A (0.58) KMT2AEPHX2KDRHTR2AHTR2C
SCHEMBL18038048 0.85 EPHX2 (0.59) KMT2AEPHX2IGF1RIDH1NPC1
SCHEMBL18038049 0.82 KMT2A (0.67) KMT2AEPHX2KDRIGF1RBRAF
SCHEMBL18037981 0.82 KMT2A (0.70) KMT2AIDH1ALDH1A1NPC1GBA1
SCHEMBL18038020 0.79 KMT2A (0.62) KMT2AEPHX2IDH1TSHRALDH1A1
SCHEMBL30481107 0.78 KDR (0.67) KMT2AKDRTSHRALDH1A1TRPV1
SCHEMBL18053822 0.78 KDR (0.67) KMT2AKDRTSHRALDH1A1TRPV1
SCHEMBL30481106 0.78 KDR (0.67) KMT2AKDRTSHRALDH1A1TRPV1
SCHEMBL19900247 0.78 MCHR1 (0.51) EPHX2KDRHTR2CBRAFNPC1

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
CN-115215807-A Inhibition of OLIG2 activity 科泰纳制药公司 2022-10-21 — — CN disclosed
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