SCHEMBL11519087

SCHEMBL11519087

N#CCCN(CCO)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
MAPT P10636 3/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MLYCD O95822 1/20 0.35
EGFR P00533 1/20 0.34
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL3032804 0.87 HRH3 (0.49) HRH3ALDH1A1KMT2AMEN1HTT
SCHEMBL9300167 0.82 GFER (0.42) ALDH1A1KMT2AMEN1KDM4ETHRB
SCHEMBL11518453 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1KDM4ETHRB
SCHEMBL202397 0.80 USP2 (0.50) ALDH1A1KMT2AMEN1KDM4EHTT
Water SCHEMBL28635299 0.80 USP2 (0.50) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL11518103 0.78 ALDH1A1 (0.49) HRH3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11336034 0.77 KMT2A (0.58) ALDH1A1KMT2AMEN1KDM4ETHRB
SCHEMBL20961718 0.74 HRH3 (0.40) HRH3ALDH1A1KMT2AMEN1MTNR1A
SCHEMBL11521629 0.74 HSD17B10 (0.46) ALDH1A1KMT2AMEN1KDM4ETHRB
SCHEMBL10605812 0.74 KMT2A (0.47) HRH3ALDH1A1KMT2AMEN1KDM4E

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-4147716-A Preparation of N-substituted carbamates BASF WYANDOTTE CORPORATION (US) 1979-04-03 US disclosed