SCHEMBL29227100

SCHEMBL29227100

Clc1ccc(COc2ccc3ccccc3c2CCN2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.52
▸ WDR77 Q9BQA1 1/20 0.52
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CCR5 P51681 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ NPBWR1 P48145 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CNR1 P21554 1/20 0.42

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
SCHEMBL29227088 0.89 LMNA (0.55) KMT2AMEN1NPSR1TSHRPOLB
SCHEMBL29227120 0.88 PRMT5 (0.53) PRMT5WDR77KMT2AMEN1NPSR1
SCHEMBL29227106 0.88 TSHR (0.48) PRMT5WDR77KMT2AMEN1NPSR1
SCHEMBL30873435 0.81 ALDH1A1 (0.47) KMT2ANPSR1TSHRNPC1RAB9A
SCHEMBL29227091 0.81 ALDH1A1 (0.47) KMT2ANPSR1TSHRNPC1RAB9A
SCHEMBL29227130 0.81 TSHR (0.48) KMT2ANPSR1TSHRPOLBNPC1
SCHEMBL30873571 0.79 HRH3 (0.53) PRMT5WDR77NPC1RAB9ASMN1; SMN2
SCHEMBL30873550 0.78 LMNA (0.57) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL20379519 0.77 TSHR (0.76) PRMT5WDR77KMT2AMEN1NPSR1
SCHEMBL29227359 0.77 LMNA (0.45) PRMT5WDR77KMT2AMEN1NPSR1

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
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN claimed
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN disclosed
Send feedback