SCHEMBL10340535

SCHEMBL10340535

Cc1ccc([N+](=O)[O-])cc1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ CYP1A2 P05177 5/20 0.55
▸ CYP2C19 P33261 5/20 0.55
▸ CYP2D6 P10635 4/20 0.55
▸ CYP2C9 P11712 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ TSHR P16473 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ RIPK1 Q13546 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP19A1 P11511 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL10918768 0.90 ALDH1A1 (0.56) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL27583119 0.87 CYP1A2 (0.51) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL14768876 0.86 ALDH1A1 (0.64) CYP3A4KMT2AMAPTCYP1A2CYP2C19
Dinitrophenylene SCHEMBL27738927 0.86 TSHR (0.53) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL11776775 0.82 CYP19A1 (0.49) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL1275610 0.82 CYP1A2 (0.56) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL10544797 0.81 POLB (0.51) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL6203707 0.81 HSD17B10 (0.53) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL20767544 0.79 RIPK1 (0.53) CYP3A4KMT2AMAPTCYP1A2CYP2C19
SCHEMBL17737206 0.79 CYP19A1 (0.50) CYP3A4KMT2AMAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100456447-C Method of forming an interconnect structure in an integrated circuit device IBM (US) 2009-01-28 — — CN claimed
CN-1799138-A Interconnect structures in integrated circuit devices IBM (US) 2006-07-05 — — CN claimed
US-4734532-A HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US claimed
CN-100456447-C Method of forming an interconnect structure in an integrated circuit device IBM (US) 2009-01-28 — — CN disclosed
CN-1799138-A Interconnect structures in integrated circuit devices IBM (US) 2006-07-05 — — CN disclosed
EP-0206147-B1 PROCESS FOR THE PREPARATION OF 4,4'-DINITRODIBENZYLS BAYER AG (DE) 1990-02-28 — — EP disclosed
US-4734532-A HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US disclosed
EP-0206147-A2 Process for the preparation of 4,4'-dinitrodibenzyls BAYER AG (DE) 1986-12-30 — — EP disclosed
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