SCHEMBL7778632

SCHEMBL7778632

CCC(=O)Oc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.54
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HGFAC Q04756 1/20 0.52
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 3/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL10071375 0.84 TTR (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL27627545 0.84 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL28463968 0.83 KMT2A (0.58) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL11079876 0.83 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL28193616 0.83 HSD17B10 (0.61) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL17165001 0.82 KMT2A (0.58) MAPTALDH1A1LMNASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL28288936 0.82 KMT2A (0.46) MAPTALDH1A1LMNASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL28216677 0.82 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4218678 0.82 KMT2A (0.46) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL7186306 0.81 HSD17B10 (0.59) MAPTALDH1A1LMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed