SCHEMBL5257716

SCHEMBL5257716

CCCCNc1ccnn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.50
▸ PDE4D Q08499 2/20 0.50
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2C18 P33260 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ABHD16A O95870 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ RIPK1 Q13546 3/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL28766878 0.85 HTT (0.46) SMN1; SMN2MAPTLMNARIPK1CCNT1
SCHEMBL28784326 0.79 SOAT2 (0.41) SMN1; SMN2LMNANPC1RAB9ACCNT1
SCHEMBL9453146 0.74 SOAT1 (0.58) CYP2C9CYP2C19CYP2C18SMN1; SMN2LMNA
SCHEMBL11086699 0.73 SOAT1 (0.60) CYP2C9CYP2C19SMN1; SMN2LMNANPC1
SCHEMBL2010242 0.73 MAPT (0.56) SMN1; SMN2MAPTLMNAMAPK1RIPK1
SCHEMBL543835 0.72 MAPT (0.56) CYP2C9CYP2C19SMN1; SMN2MAPTLMNA
SCHEMBL4437551 0.71 EIF2AK4 (0.42) PDE4BMAPTNPC1RAB9AHTT
SCHEMBL4611265 0.69 ALDH1A1 (0.52) SMN1; SMN2MAPTLMNAMAPK1HTT
SCHEMBL29151107 0.69 MAPT (0.53) CYP2C9CYP2C19SMN1; SMN2MAPTLMNA
SCHEMBL30745168 0.69 MAPT (0.53) CYP2C9CYP2C19SMN1; SMN2MAPTLMNA

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
CN-1972946-A 7H-pyrrolo [2, 3-d ] pyrimidine derivatives and their therapeutically acceptable salts, pharmaceutical preparations containing them and process for preparing the active substances SZOLCSANYI JANOS (HU) 2007-05-30 — — CN disclosed
EP-1756110-A1 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, AS WELL AS THEIR THERAPEUTICALLY ACCEPTABLE SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR PRODUCTION THE ACTIVE AGENT Szolcsanyi, Janos (HU) 2007-02-28 — — EP disclosed
WO-2005105804-A1 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, AS WELL AS THEIR THERAPEUTICALLY ACCEPTABLE SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR PRODUCTION THE ACTIVE AGENT SZOLCSANYI JANOS (HU) 2005-11-10 — — WO disclosed
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