SCHEMBL29629014

SCHEMBL29629014

Clc1cccc(-c2cccc(-c3cccc(Cl)c3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
TAAR1 Q96RJ0 2/20 0.60
ESR2 Q92731 1/20 0.56
MAOB P27338 2/20 0.54
TSHR P16473 2/20 0.50
NOTUM Q6P988 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BACE1 P56817 1/20 0.48
IDO1 P14902 4/20 0.48
PGR P06401 1/20 0.47
JAK2 O60674 1/20 0.47

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
SCHEMBL817554 0.97 ALOX5 (0.65) ALOX5TAAR1ESR2MAOBTSHR
SCHEMBL31222672 0.97 ALOX5 (0.65) ALOX5TAAR1ESR2MAOBTSHR
SCHEMBL20669453 0.94 TAAR1 (0.68) ALOX5TAAR1ESR2MAOBBACE1
Hydrochloric Acid SCHEMBL28332867 0.94 ALOX5 (0.62) ALOX5TAAR1ESR2MAOBTSHR
Hydrochloric Acid SCHEMBL31070804 0.94 ALOX5 (0.62) ALOX5TAAR1ESR2MAOBTSHR
SCHEMBL29380954 0.92 TAAR1 (0.59) ALOX5TAAR1ESR2MAOBTSHR
SCHEMBL18504148 0.92 TAAR1 (0.59) ALOX5TAAR1ESR2MAOBTSHR
SCHEMBL19501160 0.92 TAAR1 (0.59) ALOX5TAAR1ESR2MAOBTSHR
SCHEMBL31139395 0.92 TAAR1 (0.59) ALOX5TAAR1ESR2MAOBTSHR
SCHEMBL31491189 0.91 TAAR1 (0.71) ALOX5TAAR1ESR2MAOBBACE1

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
US-20250120308-A1 AMINE-CONTAINING COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT SAMSUNG DISPLAY CO., LTD. (KR) 2025-04-10 US disclosed
CN-114621045-A Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde 长沙资材科技有限公司 2022-06-14 CN disclosed