SCHEMBL11533246

SCHEMBL11533246

CCc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc(=O)[nH]c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.40
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SOD1 P00441 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NOTUM Q6P988 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL11540051 0.83 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2GAATSHRHTT
SCHEMBL11535177 0.79 KCNN4 (0.42) KIF11SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11536812 0.79 ALDH1A1 (0.42) KIF11SOD1SMN1; SMN2MEN1KMT2A
SCHEMBL11535988 0.79 TSHR (0.38) KIF11L3MBTL1SMN1; SMN2TSHRMEN1
SCHEMBL11537207 0.77 KIF11 (0.39) KIF11L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL11534086 0.75 KCNN4 (0.42) KIF11MEN1KMT2ANPC1ALDH1A1
SCHEMBL11539117 0.75 KIF11 (0.37) KIF11L3MBTL1GAATSHRHTT
SCHEMBL11536704 0.75 RORC (0.41) KIF11ALDH1A1LMNA
SCHEMBL11536338 0.74 KCNN4 (0.41) KIF11MEN1KMT2AALDH1A1
SCHEMBL11533580 0.74 MEN1 (0.48) KIF11GAATSHRHTTMEN1

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