SCHEMBL9540198

SCHEMBL9540198

[CH2]C(=C)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.58
TSHR P16473 2/20 0.54
ACKR3 P25106 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
CYP19A1 P11511 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2C19 P33261 2/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
RECQL P46063 1/20 0.49
ALOX5 P09917 1/20 0.49
LMNA P02545 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
SCHEMBL2065774 0.88 PTPN1 (0.61) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL9536558 0.84 PTPN1 (0.54) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL4582840 0.83 PTPN1 (0.63) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL16594594 0.82 PTPN1 (0.56) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL951041 0.81 PTPN1 (0.61) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL4808309 0.81 PTPN1 (0.61) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL30791550 0.81 PTPN1 (0.61) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL16618597 0.81 ALDH1A1 (0.60) PTPN1TSHRACKR3MEN1KMT2A
SCHEMBL172796 0.80 TSHR (0.61) PTPN1TSHRMEN1KMT2AMAPT
SCHEMBL7462472 0.80 PTPN1 (0.60) PTPN1TSHRACKR3MEN1KMT2A

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-0557307-A1 PROCESS FOR PRODUCING 4,5,6,7-TETRAHYDRO-IMIDAZO-(4,5,LJK) (1,4)-BENZODIAZEPINE-2-(1H)-THIONES AND INTERMEDIATE PRODUCTS Roche Diagnostics GmbH (DE) 1993-09-01 EP disclosed
WO-1992008706-A1 PROCESS FOR PRODUCING 4,5,6,7-TETRAHYDRO-IMIDAZO-(4,5,LJK) (1,4)-BENZODIAZEPINE-2-(1H)-THIONES AND INTERMEDIATE PRODUCTS BOEHRINGER MANNHEIM GMBH (DE) 1992-05-29 WO disclosed