SCHEMBL11869452

SCHEMBL11869452

Cc1nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 3/20 0.37
▸ VEGFA P15692 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TXNRD1 Q16881 1/20 0.35
▸ TXNRD3 Q86VQ6 1/20 0.35
▸ TXNRD2 Q9NNW7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ DCTPP1 Q9H773 5/20 0.34
▸ ARNT P27540 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11867053 0.88 EPAS1 (0.38) EPAS1VEGFAHPGDLMNASMN1; SMN2
SCHEMBL11863601 0.85 DCTPP1 (0.36) EPAS1VEGFAHPGDLMNASMN1; SMN2
SCHEMBL11810808 0.85 LMNA (0.39) EPAS1HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL11857450 0.85 ALDH1A1 (0.34) EPAS1VEGFAHPGDLMNASMN1; SMN2
SCHEMBL11867059 0.85 KMT2A (0.40) LMNACYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL11869897 0.84 ALDH1A1 (0.38) CYP3A4CYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL11858559 0.83 ABL1 (0.36) EPAS1VEGFAHPGDLMNASMN1; SMN2
SCHEMBL11857528 0.83 ALDH1A1 (0.38) CYP3A4CYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL11857518 0.82 EPAS1 (0.33) EPAS1VEGFAHPGDLMNASMN1; SMN2
SCHEMBL11867426 0.81 EPAS1 (0.32) EPAS1VEGFAHPGDLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954788-A INTERMEDIATES FOR HERBIDIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
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