SCHEMBL30354091

SCHEMBL30354091

Clc1ccc2nc(Cl)ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
NR4A2 P43354 2/20 0.39
NOS1 P29475 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIK3CG P48736 2/20 0.38
CYP2A6 P11509 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
BACE1 P56817 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL2595849 1.00 HTR3A (0.50) HTR3AALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL28129923 0.84 BACE1 (0.54) HTR3AALDH1A1KDM4ESMN1; SMN2DYRK1A
SCHEMBL29918270 0.79 HTR3A (0.39) HTR3AALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL1570789 0.79 HTT (0.49) HTR3AALDH1A1KDM4ESMN1; SMN2NOS1
SCHEMBL30718860 0.79 ALDH1A1 (0.50) HTR3AALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL2130969 0.79 PIK3CG (0.53) HTR3AKDM4ENR4A2DYRK1APIK3CG
SCHEMBL15888390 0.79 HTR3A (0.51) HTR3AALDH1A1KDM4EPDE3BPDE3A
SCHEMBL446874 0.79 KDM4E (0.46) HTR3AALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL1571191 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2PDE3BPDE3A
SCHEMBL13362651 0.79 KDM4E (0.46) HTR3AALDH1A1KDM4ESMN1; SMN2

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
CN-116023372-B Compound of benzoxazole linkage electricity-absorbing segment and electron transport material 烟台显华化工科技有限公司 2024-12-31 CN disclosed
CN-118702672-A Compounds and compositions for treating skin disorders 卡玛瑞制药有限公司 2024-09-27 CN disclosed
CN-115335050-B Compounds and compositions for treating skin disorders 卡玛瑞制药有限公司 2024-05-17 CN disclosed
CN-116023372-A Compound of benzoxazole linkage electricity-absorbing segment and electron transport material 烟台显华化工科技有限公司 2023-04-28 CN disclosed