SCHEMBL28292050

SCHEMBL28292050

O=C1CCCN(Cl)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NOTUM Q6P988 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
CES1 P23141 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL3388501 0.89 LMNA (0.45) MEN1KMT2ACYP2A6MAOAMAOB
SCHEMBL12945193 0.78 KMT2A (0.50) MEN1KMT2ACYP2A6MAOAMAOB
SCHEMBL20622381 0.78 KMT2A (0.50) MEN1KMT2ACYP2A6MAOAMAOB
SCHEMBL29960722 0.78 MEN1 (0.50) MEN1KMT2ACYP2A6MAOAMAOB
SCHEMBL14408830 0.78 MEN1 (0.50) MEN1KMT2ACYP2A6MAOAMAOB
SCHEMBL20622393 0.75 L3MBTL1 (0.58) MEN1KMT2ACES1ALDH1A1L3MBTL1
SCHEMBL642025 0.74 NOTUM (0.70) MEN1KMT2ANOTUMHTTLMNA
SCHEMBL20619640 0.74 MEN1 (0.46) MEN1KMT2ACYP2A6MAOAMAOB
SCHEMBL25429945 0.74 ALDH1A1 (0.50) MEN1KMT2ANOTUMHTTLMNA
SCHEMBL8823921 0.72 SMN1; SMN2 (0.53) MEN1KMT2ANOTUMHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294562-B A kind of preparation method of the chloro- 5- oxo -2,3,4,5- tetrahydro -1H-1- benzazepine of 7- 长春吉大天元化学技术股份有限公司 2019-04-16 CN claimed
CN-105294562-B A kind of preparation method of the chloro- 5- oxo -2,3,4,5- tetrahydro -1H-1- benzazepine of 7- 长春吉大天元化学技术股份有限公司 2019-04-16 CN disclosed
CN-105294562-B A kind of preparation method of the chloro- 5- oxo -2,3,4,5- tetrahydro -1H-1- benzazepine of 7- 长春吉大天元化学技术股份有限公司 2019-04-16 CN disclosed