SCHEMBL30819263

SCHEMBL30819263

Cc1ccc(-c2cc(C)c(Br)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM1A O60341 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 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
SCHEMBL27157143 1.00 LDHA (0.41) LDHAHDAC6CCR1CCR5CCR8
SCHEMBL30197384 0.85 TDO2 (0.42) LDHAALDH1A1NPSR1MAPK1SMN1; SMN2
SCHEMBL18015262 0.85 CYP1A2 (0.40) LDHAMETAP2MAPTALDH1A1KDM1A
SCHEMBL21290369 0.85 TDO2 (0.42) LDHAALDH1A1NPSR1MAPK1SMN1; SMN2
SCHEMBL15420845 0.85 LDHA (0.57) LDHAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL18729621 0.82 CCR1 (0.44) LDHAHDAC6CCR1CCR5CCR8
SCHEMBL25752509 0.81 GAA (0.44) ALDH1A1KDM1AHTTKDM4EHPGD
SCHEMBL2187669 0.78 LDHA (0.46) LDHAHDAC6CCR1CCR5CCR8
SCHEMBL17811394 0.78 LDHA (0.40) LDHAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL24526057 0.77 HDAC1 (0.46) LDHAHDAC6CCR1CCR5CCR8

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
CN-110563768-B Organic electroluminescent material and device 环球展览公司 2024-02-27 CN disclosed