SCHEMBL25566840

SCHEMBL25566840

CNC(=O)c1c(C)[nH]c(C=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
BRPF1 P55201 2/20 0.49
CREBBP Q92793 2/20 0.49
EP300 Q09472 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CSF1R P07333 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
PRKAA2 P54646 4/20 0.34
PRKAA1 Q13131 4/20 0.34
KDR P35968 4/20 0.34
PDGFRB P09619 2/20 0.34
FGFR1 P11362 2/20 0.34

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
SCHEMBL21916084 0.79 BRD4 (0.55) BRD4BRPF1CREBBPEP300KMT2A
SCHEMBL11307800 0.78 CYP1A2 (0.57) BRD4BRPF1CREBBPALDH1A1RAB9A
SCHEMBL394139 0.78 ALDH1A1 (0.46) ALDH1A1RAB9APOLBKMT2AGAA
SCHEMBL15331397 0.77 ALDH1A1 (0.58) ALDH1A1RAB9APOLBKMT2AGAA
SCHEMBL25313189 0.76 GRK5 (0.43) ALDH1A1RAB9APOLBKMT2ANPSR1
SCHEMBL25312496 0.76 GRK5 (0.43) ALDH1A1RAB9ATSHRCYP1A2PRKAA2
SCHEMBL18656646 0.76 ALDH1A1 (0.39) BRD4BRPF1CREBBPALDH1A1RAB9A
SCHEMBL13303521 0.76 ALDH1A1 (0.39) BRD4BRPF1CREBBPALDH1A1RAB9A
SCHEMBL6832974 0.75 KDR (0.53) POLBKMT2ANPSR1TSHRCSF1R
SCHEMBL25313535 0.74 GRK5 (0.45) NPSR1TSHRCSF1RPRKAA2PRKAA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 WO disclosed
CN-114213396-B Indole-2-ketone compound and preparation method and application thereof 深圳市乐土生物医药有限公司 2023-03-24 CN disclosed
CN-114213396-A Indole-2-ketone compound and preparation method and application thereof 深圳市乐土生物医药有限公司 2022-03-22 CN disclosed