SCHEMBL11539449

SCHEMBL11539449

CCCOc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc(Br)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
DHFR P00374 1/20 0.36
ALOX5 P09917 2/20 0.36
TP53 P04637 1/20 0.36
FGFR1 P11362 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PTGES O14684 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL11537656 0.82 KMT2A (0.41) KMT2AL3MBTL1MAPTSMN1; SMN2GPBAR1
SCHEMBL11536087 0.82 KMT2A (0.50) KMT2AL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL11535667 0.80 KIF11 (0.40) KMT2ASMN1; SMN2MEN1TP53
SCHEMBL11534894 0.78 NPC1 (0.33) SMN1; SMN2CHRNB2CHRNA4
SCHEMBL11533304 0.77 KIF11 (0.38) KMT2AMAPTSMN1; SMN2MEN1TP53
SCHEMBL11537892 0.76 KIF11 (0.41) KMT2AL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL11537554 0.76 KCNN4 (0.40) TP53KDM4E
SCHEMBL11538842 0.74 KMT2A (0.45) KMT2AMAPTSMN1; SMN2LMNAHTT
SCHEMBL11537889 0.74 KMT2A (0.43) KMT2AL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL11534166 0.73 TSHR (0.38) KMT2ASMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139625-A 5-(Substituted triphenylmethyl)picolinamides and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-13 US disclosed
US-4133887-A Trityl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-01-09 US disclosed
US-4127662-A ANTIACNE SCHERING CORPORATION (US) 1978-11-28 US disclosed
US-4123433-A ANTIACNE AGENTS SCHERING CORPORATION (US) 1978-10-31 US disclosed
US-4044140-A Trityl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1977-08-23 US disclosed