SCHEMBL19639248

SCHEMBL19639248

O=C(O)NCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TPSAB1 Q15661 1/20 0.45
MAPT P10636 1/20 0.42
HTR2A P28223 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL10521890 0.83 KMT2A (0.40) KMT2ATPSAB1MAPTHTR2ATSHR
SCHEMBL88302 0.81 HTR2A (0.45) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL29579635 0.81 HTR2A (0.45) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL10521895 0.81 TPSAB1 (0.39) KMT2ATPSAB1TSHR
SCHEMBL10421654 0.80 TPSAB1 (0.47) KMT2ATPSAB1MAPTHTR2ATSHR
Ammonia Solution, Strong SCHEMBL28099493 0.80 HTR2A (0.44) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL10421653 0.79 TPSAB1 (0.44) KMT2ATPSAB1HTR2AHDAC8
SCHEMBL18281205 0.77 KMT2A (0.40) KMT2ATPSAB1MAPTHTR2AHDAC3
SCHEMBL23111835 0.76 KMT2A (0.74) KMT2AFABP7FABP5
SCHEMBL3136529 0.76 EGFR (0.54) KMT2AMAPTHTR2AHDAC3HDAC4

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-20170340544-A1 COSMETIC COMPOSITION FOR IMPROVING HEALTH OF SCALP AND METHOD OF PREPARING THE SAME OLIPASS Cosmeceuticals Company (KR) 2017-11-30 US disclosed