SCHEMBL11248047

SCHEMBL11248047

Cc1cc(C)cc(C)c1.O=[N+]([O-])c1nc[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
GPR35 Q9HC97 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
STAT1 P42224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL45065 0.88
SCHEMBL30490525 0.86
Formaldehyde SCHEMBL28704503 0.84 CYP3A4 (0.32) MAPTCYP3A4
Boric Acid SCHEMBL28485811 0.81 CYP3A4 (0.30) CYP3A4
SCHEMBL12314702 0.65 SMN1; SMN2 (0.42) TSHRGPR35KMT2ASMN1; SMN2MAPT
SCHEMBL26326403 0.64 NOTUM (0.36) NPC1RAB9ACYP2C9HTT
SCHEMBL1097495 0.64 TSHR (1.00) TSHRGPR35MEN1KMT2ASMN1; SMN2
Nitric Acid SCHEMBL28348863 0.62 TSHR (0.62) TSHRGPR35MEN1KMT2ANPC1
SCHEMBL991861 0.62 MAPT (0.39) TSHRGPR35MEN1KMT2ASMN1; SMN2
SCHEMBL27996717 0.62 MEN1 (0.33) TSHRMEN1KMT2ACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062971-A2 Genetically modified microorganisms IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-10-20 EP disclosed