SCHEMBL22258404

SCHEMBL22258404

O=C(Nc1c[nH]nc1C1=Nc2ccccc2C1)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
EPHX1 P07099 2/20 0.36
TP53 P04637 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL12659569 0.81 MDM4 (0.40) KMT2ASMN1; SMN2MEN1HTTPKM
SCHEMBL3588865 0.74 KMT2A (0.45) KMT2ASMN1; SMN2MEN1HTTPKM
SCHEMBL22235741 0.73 PDPK1 (0.61) KMT2ASMN1; SMN2MEN1PKMKDM4E
SCHEMBL23719197 0.73 KMT2A (0.59) KMT2ASMN1; SMN2MEN1HTTPKM
SCHEMBL22828397 0.73 TRPV1 (0.47)
SCHEMBL22828392 0.71 EPHX1 (0.42) KMT2ASMN1; SMN2MEN1HTTPKM
SCHEMBL23719133 0.71 MTNR1A (0.48) KMT2AMEN1KDM4E
SCHEMBL13314757 0.70 KMT2A (0.54) KMT2ASMN1; SMN2MEN1HTTPKM
SCHEMBL22828681 0.69 KMT2A (0.44) KMT2ASMN1; SMN2MEN1HTTPKM
SCHEMBL10240043 0.69 KDM4E (0.48) KMT2ASMN1; SMN2MEN1HTTPKM

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-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed