SCHEMBL6470628

SCHEMBL6470628

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2c1c1cc(OCCl)ccc1n2Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 2/20 0.41
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 5/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
PLA2G2A P14555 2/20 0.37
KMT2A Q03164 4/20 0.37

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
SCHEMBL6470974 0.92 PLA2G2A (0.44) P2RX4P2RX7PIK3R1PIK3CAKDM4E
SCHEMBL6471446 0.92 PIK3R1 (0.47) P2RX4P2RX7PIK3R1PIK3CAKDM4E
SCHEMBL6531788 0.85 PLA2G2A (0.42) P2RX4P2RX7MAPTPLA2G2APPARG
SCHEMBL6471021 0.82 AR (0.39) P2RX7KDM4ECYP1A2MAPTMAPK1
SCHEMBL6472034 0.76 ALDH1A1 (0.37) KDM4ELMNAMAPTALDH1A1KMT2A
SCHEMBL5022314 0.75 P2RX4 (0.44) P2RX4P2RX7PIK3R1PIK3CAKDM4E
SCHEMBL5016446 0.75 PIK3R1 (0.46) PIK3R1PIK3CAKDM4ELMNACYP1A2
SCHEMBL6532127 0.73 MAPT (0.39) KDM4EMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL5016360 0.71 MAPT (0.40) P2RX7PIK3R1PIK3CAKDM4ELMNA
SCHEMBL27826131 0.70 KMT2A (0.53) LMNAMAPTALDH1A1KMT2AMEN1

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
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed