SCHEMBL8223992

SCHEMBL8223992

C(=C/c1cccnc1-c1ccccn1)\c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
TRPA1 O75762 2/20 0.43
NFE2L2 Q16236 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL8223994 1.00 KDM4E (0.45) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL28359895 0.90 KDM4E (0.41) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL9166069 0.87 KDM4E (0.51) KDM4ELMNATRPA1NFE2L2CYP11B1
(Z)-1,2-Diphenylethene SCHEMBL28445804 0.83 KDM1A (0.46) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL4165025 0.82 KDM4E (0.46) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL4165023 0.82 KDM4E (0.46) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL9166072 0.82 ALK (0.41) KDM4ELMNACYP1A2POLBCCR1
(Z)-1,2-Diphenylethene SCHEMBL28562270 0.81 KDM4E (0.67) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL4155559 0.81 KDM1A (0.47) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL2773355 0.81 KDM1A (0.47) KDM4ELMNACYP1A2POLBCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000073755-A2 IMPROVED PRESSURE SENSOR CANPOLAR EAST INC. (CA) 2000-12-07 WO disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed