SCHEMBL9011981

SCHEMBL9011981

CC(C)CNc1ccc([N+](=O)[O-])cc1CSc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 7/20 0.39
HTT P42858 5/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 6/20 0.36
MEN1 O00255 5/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 4/20 0.35

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
SCHEMBL10441606 0.83 RIPK1 (0.48) RIPK1KMT2AALDH1A1HTTMAPT
SCHEMBL9012424 0.80 ADRA2A (0.42) HTTMAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9012538 0.79 HDAC1 (0.42) ALDH1A1HPGDSMN1; SMN2PKMNPC1
SCHEMBL9012164 0.78 RIPK1 (0.44) RIPK1KMT2AALDH1A1HTTMAPT
SCHEMBL9011898 0.76 NPC1 (0.34) NPC1RAB9A
SCHEMBL9012295 0.76 TXN (0.35) KMT2AHTTMAPTMEN1HPGD
SCHEMBL9222793 0.73 RIPK1 (0.48) RIPK1KMT2AALDH1A1HTTMAPT
SCHEMBL9012326 0.69 TAAR1 (0.41) KMT2AALDH1A1LMNACYP1A2CYP2D6
SCHEMBL9012172 0.69 TAAR1 (0.35) ALDH1A1HPGDMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9012305 0.68 HDAC1 (0.40) KMT2AALDH1A1HPGDSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8109390-A None JP disclosed
JP-H08109390-A PERFUME COMPOSITION T HASEGAWA CO LTD 1996-04-30 JP disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed