SCHEMBL11535667

SCHEMBL11535667

CCc1cccc(C(c2ccccc2)(c2ccccc2)c2ccc(Br)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.40
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.33
IDO1 P14902 1/20 0.33
ACSS2 Q9NR19 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11534894 0.83 NPC1 (0.33) SMN1; SMN2
SCHEMBL11533304 0.82 KIF11 (0.38) KIF11TP53MEN1KMT2AIDO1
SCHEMBL11537554 0.81 KCNN4 (0.40) KIF11TP53
SCHEMBL11539449 0.80 KMT2A (0.41) TP53MEN1KMT2ASMN1; SMN2
SCHEMBL11535358 0.80 P4HTM (0.45) KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL11536344 0.80 KIF11 (0.38) KIF11TP53MEN1KMT2AACSS2
SCHEMBL11534166 0.79 TSHR (0.38) KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL11533455 0.77 NPC1 (0.44) KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL11536103 0.75 CYP19A1 (0.42) KIF11KMT2A
SCHEMBL11535711 0.75 CYP19A1 (0.40) KIF11MEN1KMT2ASMN1; SMN2

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