SCHEMBL21393632

SCHEMBL21393632

C=C(OC)c1ccncc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ORAI1 Q96D31 3/20 0.40
STIM1 Q13586 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.36
KDM4C Q9H3R0 3/20 0.36
RPS6KA3 P51812 3/20 0.34
LMNA P02545 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
NUDT1 P36639 1/20 0.33
TRPC1 P48995 1/20 0.32
TRPC3 Q13507 1/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL31438561 0.81 NAMPT (0.39) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL19273667 0.79 LOXL2 (0.39) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL30728748 0.78 KDM4E (0.64) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL1329736 0.78 KDM4E (0.64) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL17425264 0.76 LOXL2 (0.41) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL459712 0.71 LOXL2 (0.44) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL25201864 0.71 KDM4C (0.42) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL24568249 0.70 PREP (0.55) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL29269616 0.69 LOXL2 (0.38) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL1883186 0.69 ORAI1 (0.49) ALDH1A1KDM4EGLAGAAL3MBTL1

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed