SCHEMBL21764050

SCHEMBL21764050

C=Cc1c(/C=C\C)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
LMNA P02545 5/20 0.46
PSMD14 O00487 1/20 0.46
P2RX4 Q99571 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL26310031 0.87 CYP19A1 (0.58) CYP19A1LMNAPSMD14P2RX4SMN1; SMN2
SCHEMBL20085190 0.77 LMNA (0.39) LMNAPSMD14SMN1; SMN2MEN1KMT2A
SCHEMBL18626392 0.76 LMNA (0.44) LMNASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL14327706 0.75 ALDH1A1 (0.44) LMNAPSMD14MEN1KMT2AMAPK1
SCHEMBL16977122 0.75 KDM4E (0.46) LMNAMEN1KMT2AMAPK1KDM4E
SCHEMBL24609369 0.75 MEN1 (0.35) LMNAPSMD14MEN1KMT2AALDH1A1
SCHEMBL17011409 0.75 ALDH1A1 (0.55) LMNAP2RX4MEN1KMT2AMAPK1
SCHEMBL22138146 0.75 MEN1 (0.33) LMNAMEN1KMT2AALDH1A1USP2
SCHEMBL22166724 0.75 MEN1 (0.33) LMNAMEN1KMT2AALDH1A1USP2
SCHEMBL21367359 0.75 MEN1 (0.33) LMNAMEN1KMT2AALDH1A1USP2

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-3369737-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-26 EP disclosed