SCHEMBL11842011

SCHEMBL11842011

CN1c2ccccc2C=C(Br)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
TTR P02766 3/20 0.41
CES1 P23141 1/20 0.41
ERBB2 P04626 1/20 0.37
MAOA P21397 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35

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
SCHEMBL12459415 0.78 GPR84 (0.54) GPR84MAPTALDH1A1LMNAKDM4E
SCHEMBL13068848 0.77 GPR84 (0.49) GPR84MAPTALDH1A1LMNAKDM4E
SCHEMBL11852469 0.77 KMT2A (0.46) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL7838080 0.74 GPR84 (0.61) GPR84MAPTALDH1A1LMNAKDM4E
SCHEMBL6648031 0.74 CES1 (0.50) MAPTALDH1A1LMNAHTTCES1
SCHEMBL11852780 0.73 GPR84 (0.47) GPR84MAPTALDH1A1LMNAKDM4E
SCHEMBL12215469 0.72 GPR84 (0.42) GPR84MAPTALDH1A1LMNAKDM4E
SCHEMBL826206 0.71
SCHEMBL2604394 0.71 TTR (0.56) GPR84MAPTALDH1A1LMNAKDM4E
SCHEMBL11112161 0.71 BCHE (0.49) LMNACES1SMN1; SMN2MAPK1

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
US-3985730-A 5-Alkyl-10-(aminocarbonyl/aminomethyl/cyano)-10,11-dihydro-5H-dibenz[b,f]azepine-10-alkanamines G. D. SEARLE & CO. (US) 1976-10-12 US disclosed