SCHEMBL20041024

SCHEMBL20041024

CONc1cnc(Oc2ccccc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LTA4H P09960 1/20 0.38

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
SCHEMBL16792742 0.83 LOXL2 (0.42) L3MBTL1LMNAALDH1A1HPGDKDM4E
SCHEMBL18181863 0.79 ALDH1A1 (0.47) L3MBTL1LMNAALDH1A1HPGDKDM4E
SCHEMBL16792635 0.74 UHRF1 (0.46) L3MBTL1LMNAALDH1A1HPGDKDM4E
SCHEMBL29693800 0.74 ALDH1A1 (0.44) L3MBTL1LMNAALDH1A1HPGDKDM4E
SCHEMBL20040887 0.74 GAA (0.50) L3MBTL1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL19676352 0.73 KMT2A (0.50) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL14015136 0.71 LOXL2 (0.45) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18331940 0.70 MAP4K4 (0.42) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL14015138 0.70 HTT (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL24471268 0.69 HSD17B1 (0.45) ACACBACACA

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-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 — — EP disclosed
Send feedback