SCHEMBL7475644

SCHEMBL7475644

CC(NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.46
CTSD P07339 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KCNMA1 Q12791 2/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7475632 1.00 GLA (0.53) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL7908193 0.88 GLA (0.55) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL513385 0.86 ALDH1A1 (0.61) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL7908196 0.83 SMN1; SMN2 (0.55) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL15610552 0.81 TDP1 (0.51) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL15610652 0.81 TDP1 (0.51) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL15610551 0.81 TDP1 (0.51) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL5248182 0.80 SLC6A2 (0.58) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL7908199 0.77 TSHR (0.47) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL7904396 0.76 CTSD (0.47) GLASMN1; SMN2ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP disclosed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP disclosed
US-5371079-A Administering to inhibit replication of HIV-1 in human cells JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-06 US disclosed
US-5270464-A Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-14 US disclosed
EP-0384522-B1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-13 EP disclosed
EP-0336466-B1 ANTIVIRAL TETRAHYDROIMIDAZO (1,4) BENZODIAZEPIN-2-ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-30 EP disclosed
WO-1992000979-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed
EP-0384522-A1 Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-29 EP disclosed
EP-0336466-A1 Antiviral tetrahydroimidazo (1,4) benzodiazepin-2-ones JANSSEN PHARMACEUTICA N.V. (BE) 1989-10-11 EP disclosed