SCHEMBL11246795

SCHEMBL11246795

C=Cc1cccc(NCC2CO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR7 P34969 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
SYK P43405 1/20 0.30

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
SCHEMBL8981523 0.83 TAAR1 (0.42) TP53TDP1TAAR1MEN1KMT2A
SCHEMBL11245531 0.80 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL29903162 0.76 TSHR (0.43) TAAR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL175818 0.74 NPC1 (0.56) TDP1SMN1; SMN2NPC1RAB9AALDH1A1
Water SCHEMBL44278 0.73 TAAR1 (0.36) TP53TAAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7024378 0.73 TP53 (0.48) TP53TDP1FAAHMEN1POLB
SCHEMBL11241763 0.73 TDP1 (0.38) TP53TDP1TAAR1MEN1KMT2A
SCHEMBL15486522 0.72 MTNR1A (0.48) TP53MEN1POLBKMT2ASMN1; SMN2
SCHEMBL17656432 0.72 ALDH1A1 (0.42) TP53TAAR1MEN1POLBKMT2A
SCHEMBL8981580 0.71 SMN1; SMN2 (0.42) TP53TDP1SMN1; SMN2NPC1RAB9A

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-4323662-A Thermosetting resin compositions comprising bismaleimides and alkenylaniline derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1982-04-06 US disclosed