SCHEMBL11277368

SCHEMBL11277368

Cc1nc(Cc2ccccc2)[nH]c1CO

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
PKM P14618 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
RNASEH1 O60930 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LTB4R Q15722 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DAO P14920 1/20 0.40

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
SCHEMBL9082686 0.83 GAA (0.49) GAAPKMTSHRKMT2ARNASEH1
SCHEMBL9083687 0.81 GAA (0.47) GAAPKMTSHRKMT2ARNASEH1
SCHEMBL16412171 0.79 KDM4E (0.42) GAATSHRLTB4RKDM4EMAPT
SCHEMBL5392888 0.78 GAA (0.55) GAAPKMTSHRKMT2ARNASEH1
SCHEMBL8444505 0.78 GAA (0.44) GAAPKMTSHRKMT2ATAAR1
SCHEMBL10514714 0.77 KDM4E (0.36) KMT2AKDM4ETDP1
SCHEMBL11305733 0.76 GAA (0.43) GAAPKMTSHRKMT2ARNASEH1
SCHEMBL28647090 0.76 LTB4R (0.49) GAAPKMTSHRKMT2ARNASEH1
SCHEMBL11307959 0.76 GAA (0.49) GAAPKMTSHRKMT2ARNASEH1
SCHEMBL33678 0.75 KDM4E (0.50) GAATSHRKDM4EMAPT

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
EP-0015516-B1 PROCESS FOR PREPARING 5-(HYDROXYMETHYL)IMIDAZOLES BASF Aktiengesellschaft (DE) 1982-05-19 EP disclosed
US-4278801-A FORMALDEHYDE, HYDROCHLORIC ACID BASF AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed