SCHEMBL28290440

SCHEMBL28290440

Nc1cnc(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL31539724 0.80 TSHR (0.54) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL30405501 0.77 ALDH1A1 (0.42) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL6307182 0.77 ALDH1A1 (0.42) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL2401756 0.77 TSHR (0.41) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL14301697 0.77 KMT2A (0.42) TSHRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19814248 0.76 CDK2 (0.49) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL2372426 0.74 ALDH1A1 (0.40) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL30769656 0.74 ALDH1A1 (0.40) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL14868671 0.74 HSP90AA1 (0.41) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL2401652 0.74 CA1 (0.38) TSHRALDH1A1LMNAHTTMAPT

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-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed