SCHEMBL16601601

SCHEMBL16601601

Cc1ccc(NCc2ccccc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.50
LTA4H P09960 1/20 0.50
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
NOS2 P35228 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL3844597 0.82 LTA4H (0.59) HTTALDH1A1RAB9ALTA4HPDGFRB
SCHEMBL11060936 0.79 HTT (0.55) HTTALDH1A1LTA4HHDAC4HDAC1
SCHEMBL13960956 0.79 HTT (0.50) HTTALDH1A1LTA4HPDGFRBPDGFRA
SCHEMBL14808808 0.79 HTT (0.50) HTTALDH1A1LTA4HPDGFRBPDGFRA
SCHEMBL4250052 0.78 KMT2A (0.59) HTTALDH1A1RAB9APDGFRBPDGFRA
SCHEMBL13341001 0.78 HTT (0.50) HTTALDH1A1LTA4HPDGFRBPDGFRA
SCHEMBL28697805 0.77 HDAC4 (0.54) HTTALDH1A1LTA4HPDGFRBPDGFRA
SCHEMBL4740818 0.76 AURKA (0.65) HTTALDH1A1PDGFRBPDGFRAHDAC4
SCHEMBL1924100 0.76 HTT (0.78) HTTALDH1A1LTA4HMAPT
SCHEMBL3632606 0.75 ADRA2A (0.50) HDAC1LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538084-B1 PHENYL AND PYRIDINYL HYDROXAMIC ACIDS ACETYLON PHARMACEUTICALS INC (US) 2023-11-01 EP disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed