SCHEMBL14775860

SCHEMBL14775860

O=C(O)Oc1noc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.47
FAAH O00519 2/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
MAOB P27338 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 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
SCHEMBL14427253 0.85 MAPT (0.47) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL25255597 0.84 FAAH (0.49) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL10520166 0.84 FAAH (0.45) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL70238 0.83 SMN1; SMN2 (0.45) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL28103593 0.80 ALDH1A1 (0.46) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL68963 0.79 HIF1A (0.50) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL5649712 0.79 KMT2A (0.50) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL10659456 0.78 FAAH (0.54) HIF1AFAAHMGLLALDH1A1TP53
SCHEMBL9035692 0.74 FAAH (0.49) HIF1AFAAHMGLLALDH1A1KMT2A
SCHEMBL6988473 0.74 FAAH (0.43) HIF1AFAAHMGLLALDH1A1KMT2A

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
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP claimed