SCHEMBL441701

SCHEMBL441701

Cc1cccc2c(N)c(Br)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
PSMD14 O00487 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL442133 0.83 BACE1 (0.41) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL441951 0.79 HAVCR2 (0.58) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL435823 0.79 PARP1 (0.41) ALDH1A1MAPTSMN1; SMN2PARP1MEN1
SCHEMBL437599 0.79 CCR1 (0.42) ALDH1A1RAB9AKDM4EMAPTLMNA
SCHEMBL442075 0.79 HAVCR2 (0.46) ALDH1A1RAB9AKDM4EMAPTPSMD14
SCHEMBL440370 0.78 PARP1 (0.45) PARP1
SCHEMBL437613 0.78 GABRA1 (0.41) ALDH1A1RAB9AMAPTPARP1MEN1
SCHEMBL435849 0.78 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL439739 0.76 CCR1 (0.39) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL19012433 0.76 PARP1 (0.44) RAB9AKDM4ESMN1; SMN2PARP1HTR1A

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed