SCHEMBL9219681

SCHEMBL9219681

Cc1nc(Cc2c[nH]c3ccccc23)c[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
AHR P35869 3/20 0.61
CYP3A4 P08684 2/20 0.61
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.49
HTR6 P50406 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTPN1 P18031 2/20 0.48

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
SCHEMBL12559876 0.81 GPR84 (0.61) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL2794875 0.78 GPR84 (0.56) GPR84MEN1KMT2AAHRCYP3A4
Arundine SCHEMBL325162 0.77 MEN1 (1.00) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL16431196 0.77 GPR84 (0.69) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL10792018 0.77 SMN1; SMN2 (0.41) GPR84ALDH1A1HTR6
SCHEMBL20204745 0.76 GPR84 (0.57) GPR84MEN1KMT2AAHRCYP3A4
Arundine SCHEMBL28335217 0.75 MEN1 (0.95) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL735576 0.74 GPR84 (0.65) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL10792280 0.74 SMN1; SMN2 (0.49) KMT2AMAPTALDH1A1KDM4EHTR6
SCHEMBL31744758 0.74 GPR84 (0.65) GPR84MEN1KMT2AAHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0446010-B1 Imidazole derivatives and antiepileptics comprising said imidazole derivatives as effective ingredients MITSUI TOATSU CHEMICALS (JP) 1995-03-08 EP disclosed
US-5112841-A Anticonvulsants MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0446010-A1 Imidazole derivatives and antiepileptics comprising said imidazole derivatives as effective ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-09-11 EP disclosed