SCHEMBL14470002

SCHEMBL14470002

Cc1ccc(-c2cc(-c3ccccn3)nc(C3C=CC=CN3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
TP53 P04637 3/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
GRM5 P41594 2/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CBFB Q13951 1/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
ALPL P05186 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 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
SCHEMBL8739634 0.94 CCR1 (0.42) TGFBR1TP53PKMKMT2ACYP3A4
SCHEMBL17725344 0.94 CCR1 (0.42) TGFBR1TP53PKMKMT2ACYP3A4
SCHEMBL26319904 0.93 TGFBR1 (0.37) TGFBR1TP53PKMMEN1KMT2A
SCHEMBL16588446 0.88 CCR1 (0.38) TGFBR1TP53PKMMEN1KMT2A
SCHEMBL19221741 0.84 CCR1 (0.34) TP53CCR1CCR5CCR8KDM4E
SCHEMBL15580522 0.82 NPY5R (0.33) TP53KMT2ACYP3A4CCR1CCR5
SCHEMBL700298 0.81 CCR1 (0.55) TGFBR1TP53PKMMEN1KMT2A
SCHEMBL31517145 0.81 CCR1 (0.55) TGFBR1TP53PKMMEN1KMT2A
SCHEMBL30074397 0.79 CCR1 (0.53) TGFBR1TP53PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL9225985 0.79 CCR1 (0.53) TGFBR1TP53PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250534-B1 Performance of energy storage devices: potential areas for dendritic chemistry involvement UNIVERSITY OF SOUTH FLORIDA (US) 2007-07-31 US disclosed