SCHEMBL19273667

SCHEMBL19273667

C=C(C)c1ccncc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
KDM4C Q9H3R0 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
ORAI1 Q96D31 2/20 0.34
GSK3B P49841 1/20 0.34
STIM1 Q13586 1/20 0.34
RPS6KA3 P51812 2/20 0.33
SIRT3 Q9NTG7 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
SCHEMBL17425264 0.81 LOXL2 (0.41) LOXL2KDM4CKDM4EALDH1A1MAPT
SCHEMBL16852630 0.80 TDP1 (0.41) KDM4CKDM4EALDH1A1MAPTTDP1
SCHEMBL459712 0.79 LOXL2 (0.44) LOXL2KDM4CKDM4EALDH1A1MAPT
SCHEMBL21393632 0.79 ALDH1A1 (0.42) LOXL2KDM4CKDM4EALDH1A1L3MBTL1
SCHEMBL526501 0.75 CCNC (0.36) KDM4CKDM4EALDH1A1MAPTTDP1
SCHEMBL5700488 0.75 GAA (0.43) KDM4CKDM4EALDH1A1MAPTTDP1
SCHEMBL5700390 0.75 MAPT (0.39) KDM4CKDM4EALDH1A1MAPTTDP1
SCHEMBL31068950 0.75 KDM4E (0.57) KDM4CKDM4EALDH1A1MAPTTDP1
SCHEMBL25201864 0.75 KDM4C (0.42) LOXL2KDM4CKDM4EALDH1A1MAPT
SCHEMBL31438561 0.74 NAMPT (0.39) LOXL2KDM4CKDM4EALDH1A1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023355-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 WO disclosed
EP-3524600-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS Sanofi (FR) 2019-08-14 EP disclosed
WO-2019058393-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-03-28 WO disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
WO-2017140669-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI (FR) 2017-08-24 WO disclosed