SCHEMBL28089607

SCHEMBL28089607

Cc1cc(C)cc(-c2ccc(-c3nccnc3N)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.37
NOS3 P29474 4/20 0.35
NOS2 P35228 4/20 0.35
NOS1 P29475 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAP4K4 O95819 1/20 0.34
ADK P55263 1/20 0.33
TDO2 P48775 1/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA5 O75582 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
SCHEMBL28089606 0.88 LMNA (0.41) ADORA1ADORA2AMAPK1KDRLMNA
SCHEMBL15051818 0.73 LMNA (0.48) ADORA1ADORA2ARXRARXRBLMNA
SCHEMBL17306375 0.73 ALDH1A1 (0.61) RXRARXRBMEN1KMT2AKDM4E
SCHEMBL3970734 0.73 ALDH1A1 (0.61) RXRARXRBMEN1KMT2AKDM4E
SCHEMBL7061715 0.72 RAB9A (0.42) MAPK1KDRLMNAMEN1KMT2A
SCHEMBL2254389 0.72 CCNT1 (0.42) ADORA1ADORA2AMAPK1LMNAKDM4E
SCHEMBL18448354 0.72 ACHE (0.56) ADORA1ADORA2AMAPK1LMNAMEN1
SCHEMBL30610421 0.72 CCNT1 (0.42) ADORA1ADORA2AMAPK1LMNAKDM4E
SCHEMBL20522349 0.72 KDM4E (0.54) ADORA1ADORA2AMAPK1KDRKMT2A
SCHEMBL30610423 0.72 KDM4E (0.54) ADORA1ADORA2AMAPK1KDRKMT2A

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
CN-105764911-A Luminescent diaza-, monoaza-and benzo-imidazole metal carbene complexes for use in electronic devices such as OLEDs 巴斯夫欧洲公司 2016-07-13 CN disclosed