SCHEMBL31069461

SCHEMBL31069461

CCCn1c(CO)nc2cc(C#N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
S1PR1 P21453 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
ACSS2 Q9NR19 1/20 0.39

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
SCHEMBL31069468 1.00 POLB (0.42) POLBPTGER4KDM4EALDH1A1GAA
SCHEMBL3061472 0.86 ALOX5AP (0.43) PTGER4KDM4EALDH1A1GAAGLA
SCHEMBL3731009 0.86 CNR2 (0.47) ALOX5APMAPK1
Hydrochloric Acid SCHEMBL3063212 0.85 ALOX5AP (0.42) PTGER4KDM4EALDH1A1GAAGLA
SCHEMBL3729573 0.81 RAB9A (0.42) POLBKDM4EALDH1A1GAAGLA
SCHEMBL1206745 0.79 HDAC1 (0.41) PTGER4
SCHEMBL6489644 0.78 SMN1; SMN2 (0.43) PTGER4ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL31069471 0.77 POLB (0.46) POLBKDM4ELMNAKMT2AJAK2
SCHEMBL13077881 0.76 TSHR (0.61) S1PR1ALOX5APMAPK1
SCHEMBL7019632 0.76 CYP11B2 (0.47) POLBSMN1; SMN2RAB9ANPC1TP53

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-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO disclosed