SCHEMBL13939593

SCHEMBL13939593

NN1Cc2ccccc2-c2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
LMNA P02545 4/20 0.42
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 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
SCHEMBL6261159 0.86 MAOA (0.44) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL11434377 0.83 MAOA (0.46) KMT2ASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL7262688 0.77 KMT2A (0.42) KMT2AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL10438960 0.74 KMT2A (0.48) KMT2AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL1649346 0.74 MAOA (0.56) KMT2AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL10438961 0.74 KMT2A (0.48) KMT2AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL24143154 0.72 KMT2A (0.42) KMT2AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL20014974 0.72 POLB (0.50) KMT2AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL31019490 0.72 KMT2A (0.63) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2461097 0.72 KMT2A (0.63) KMT2ASMN1; SMN2NPC1RAB9AKDM4E

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
WO-2009025793-A2 HUMAN T2R BITTERNESS RECEPTORS AND USES THEREOF SENOMYX, INC. (US) 2009-02-26 WO disclosed