SCHEMBL13638929

SCHEMBL13638929

Cc1ccc(CN(C)CCO)cc1C(=O)NC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NTRK1 P04629 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 3/20 0.41
KMT2A Q03164 2/20 0.41
S1PR1 P21453 1/20 0.41
MAPK14 Q16539 2/20 0.40
P2RX7 Q99572 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
FASN P49327 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 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
SCHEMBL13162671 0.91 TSHR (0.44) TSHRNTRK1SMN1; SMN2KDM1AKMT2A
SCHEMBL13162025 0.89 TSHR (0.43) TSHRNTRK1SMN1; SMN2KDM1AKMT2A
SCHEMBL13163132 0.79 POLB (0.52) TSHRSMN1; SMN2KMT2AMAPK14P2RX7
SCHEMBL13161961 0.78 TSHR (0.47) TSHRSMN1; SMN2KDM1AKMT2AP2RX7
SCHEMBL13162538 0.78 NTRK1 (0.40) TSHRNTRK1KDM1ANPC1RAB9A
SCHEMBL13162043 0.77 KDM4E (0.59) TSHRSMN1; SMN2KMT2AMAPK14NPC1
SCHEMBL13634274 0.77 ALDH1A1 (0.50) NTRK1KMT2ANPC1RAB9ATDP1
SCHEMBL13162375 0.76 KDM4E (0.55) TSHRSMN1; SMN2KMT2AP2RX7NPC1
SCHEMBL13638862 0.76 NTRK1 (0.39) NTRK1KDM1ANPC1RAB9ASMYD3
SCHEMBL13162872 0.76 TSHR (0.53) TSHRSMN1; SMN2KDM1AKMT2ANPC1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed