SCHEMBL21241199

SCHEMBL21241199

Cc1ccc(C)c(Nc2ccccc2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
SLC2A1 P11166 1/20 0.46
MAPK10 P53779 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
HCRTR1 O43613 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1921827 0.93 RAPGEF4 (0.61) RAPGEF4SMN1; SMN2TP53MAPTMEN1
SCHEMBL29196035 0.89 RAPGEF4 (0.71) RAPGEF4SMN1; SMN2TP53MAPTMEN1
SCHEMBL30575353 0.87 RAPGEF4 (0.61) RAPGEF4SMN1; SMN2TP53MAPTMEN1
SCHEMBL8598906 0.87 RAPGEF4 (0.61) RAPGEF4SMN1; SMN2TP53MAPTMEN1
SCHEMBL29511793 0.83 HTT (0.59) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL183017 0.83 HTT (0.59) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL9629646 0.81 GAA (0.59) RAPGEF4MAPTMEN1KMT2AGAA
SCHEMBL1713041 0.81 HTT (0.56) SMN1; SMN2TP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3212348 0.81 HTT (0.56) SMN1; SMN2TP53MAPTMEN1KMT2A
Water SCHEMBL8601906 0.81 HTT (0.56) SMN1; SMN2TP53MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2021032033-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-02-25 WO disclosed
EP-3544984-B1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed