SCHEMBL7276444

SCHEMBL7276444

COc1ccc(Cc2cc(Sc3c(Cl)cc([N+](=O)[O-])cc3Cl)ccc2OC)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
PDE5A O76074 1/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 2/20 0.37
APOBEC3A P31941 1/20 0.37
HTT P42858 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP19A1 P11511 1/20 0.37
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7273774 0.82 CSF1R (0.40) CYP2C9PDE5A
SCHEMBL7282033 0.77 TUBB4A (0.40) CYP2C9CYP2C19HTT
SCHEMBL7281994 0.73 ALDH1A1 (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6768893 0.72 MAPT (0.41) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL7274146 0.72 CSF1R (0.38) MAPTCYP3A4CYP2C9CYP2C19PDE5A
SCHEMBL10563236 0.72 ALDH1A1 (0.39) SMN1; SMN2CYP2C9LMNAPDE5AALDH1A1
SCHEMBL7273897 0.70 ALDH1A1 (0.52) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL15902847 0.70 MAPK1 (0.51) MAPTHPGDSMN1; SMN2LMNAKMT2A
SCHEMBL23663468 0.69 MAPK1 (0.39) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL29965642 0.69 MAPK1 (0.39) MAPTHPGDSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061798-A Intermediates in the formation of synthetic hormones, mimic effects of thyroid hormones; little or no effect on the heart SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-10-29 US disclosed
EP-0188351-B1 CHEMICAL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-13 EP disclosed
US-4910305-A Containing a protected 4-hydroxyphenyl SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-20 US disclosed
US-4826876-A WITHOUT EFFECT ON HEART SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-05-02 US disclosed
US-4766121-A NOT AFFECTING THE HEART SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1988-08-23 US disclosed
EP-0188351-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-07-23 EP disclosed