SCHEMBL11658461

SCHEMBL11658461

Cc1cc([N+](=O)[O-])ccc1[N+]#N.Cc1ccc([N+]#N)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
CYP3A4 P08684 4/20 0.43
RECQL P46063 1/20 0.42
GPR35 Q9HC97 3/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
PDE4A P27815 1/20 0.37
BLM P54132 1/20 0.37
PDE1B Q01064 1/20 0.37
PMP22 Q01453 1/20 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
SCHEMBL6650089 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL6651702 0.85 TSHR (0.55) ALDH1A1TSHRTDP1CYP3A4RECQL
SCHEMBL11658463 0.81 TSHR (0.47) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL11430708 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4MAPT
Nitrogen SCHEMBL11494351 0.79 ALDH1A1 (0.47) ALDH1A1TSHRTDP1CYP3A4RECQL
SCHEMBL6650087 0.76 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL28796478 0.76 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL48806 0.75 ALDH1A1 (0.69) ALDH1A1TSHRTDP1CYP3A4RECQL
SCHEMBL29349558 0.75 ALDH1A1 (0.69) ALDH1A1TSHRTDP1CYP3A4RECQL
SCHEMBL8142647 0.74 TDP1 (0.55) ALDH1A1TSHRTDP1GPR35MAPT

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
US-4076536-A Dry photopolymer imaging article having a diazonium salt and epoxide copolymer AMERICAN CAN COMPANY (US) 1978-02-28 US disclosed