SCHEMBL3974232

SCHEMBL3974232

Cn1cc(C(=O)c2ccnc(Cl)c2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR4A2 P43354 1/20 0.48
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 2/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL3978822 0.84 CA12 (0.42) POLBCA12CA9
SCHEMBL3972624 0.82 POLB (0.55) POLBLMNAALDH1A1KMT2AMITF
SCHEMBL15136577 0.81 POLB (0.63) POLBLMNAALDH1A1KMT2AMITF
SCHEMBL3975490 0.80 POLB (0.55) POLBLMNAALDH1A1KMT2AMITF
SCHEMBL21437406 0.77 POLB (1.00) POLBLMNAALDH1A1KMT2AMITF
SCHEMBL20892729 0.73 RORB (0.60) POLBLMNAALDH1A1KMT2ANPC1
SCHEMBL15143088 0.72 POLB (0.77) POLBLMNAALDH1A1KMT2AMITF
SCHEMBL27623752 0.72 RECQL (0.47) ALDH1A1KMT2AMAPTMEN1
SCHEMBL19699851 0.71 EGFR (0.55) POLBLMNAALDH1A1KMT2AMAPT
SCHEMBL31486541 0.71 EGFR (0.55) POLBLMNAALDH1A1KMT2AMAPT

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
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed