SCHEMBL7724212

SCHEMBL7724212

N#CCN(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
KMT2A Q03164 1/20 0.55
MLYCD O95822 1/20 0.55
ADRA2C P18825 1/20 0.54
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
POLQ O75417 1/20 0.48
TSHR P16473 3/20 0.46
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
GLA P06280 1/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
RORC P51449 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28381203 0.82 ADRA2C (0.54) MEN1NPC1KMT2AMLYCDADRA2C
SCHEMBL27567460 0.80 USP2 (0.46) MEN1NPC1KMT2AMLYCDADRA2C
SCHEMBL200192 0.80 ALDH1A1 (0.49) MEN1NPC1KMT2AMLYCDALDH1A1
SCHEMBL6375184 0.79 ELANE (0.53) MEN1NPC1KMT2AALDH1A1POLB
SCHEMBL11871479 0.77 ALDH1A1 (0.60) MEN1NPC1KMT2AALDH1A1POLB
SCHEMBL8814853 0.76 CTSS (0.43) MEN1NPC1KMT2AMLYCDALDH1A1
SCHEMBL10802118 0.76 KMT2A (0.49) MEN1KMT2AMLYCDALDH1A1HPGD
SCHEMBL7522860 0.76 HSD17B10 (0.47) MEN1NPC1KMT2AMLYCDALDH1A1
SCHEMBL24621887 0.76 ADRA2C (0.59) MEN1NPC1KMT2AMLYCDADRA2C
SCHEMBL18397804 0.76 ADRA2C (0.59) MEN1NPC1KMT2AMLYCDADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752985-B2 Method and devices for applying substances to a support, especially monomers for the combinatorial synthesis of molecule libraries Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2017-09-05 US disclosed
US-20020006672-A1 Generating preferential matrix; embedded particles in matrix, form transfer aggregations, heat, dissolve transfer aggregations, apply to matrix, vaporize, link transfer aggregation in matrix, allow gelation repeat in another EUROPAISCHES LABORATORIUM FUR MOLEKULARBIOLOGIE (DE) 2002-01-17 US disclosed