SCHEMBL30224912

SCHEMBL30224912

COCCOCCOCc1cc(N)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
CSF1R P07333 3/20 0.38
NPY5R Q15761 6/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.34
NR4A2 P43354 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 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
SCHEMBL24988903 0.99 NPY5R (0.38) EGFRCSF1RNPY5RNPC1RAB9A
SCHEMBL30224766 0.92 NPY5R (0.37) EGFRCSF1RNPY5RNPC1RAB9A
SCHEMBL24989609 0.91 EGFR (0.38) EGFRCSF1RNPY5RNPC1RAB9A
SCHEMBL24988860 0.89 NPY5R (0.43) NPY5RNPC1RAB9AKDM4EMAPT
SCHEMBL24989559 0.88 EGFR (0.37) EGFRCSF1RNPY5RNPC1RAB9A
SCHEMBL29185293 0.88 EGFR (0.32) EGFRCSF1RMEN1KMT2A
SCHEMBL31022398 0.88 PPARG (0.36) NPY5RNPC1RAB9AKDM4EMAPT
SCHEMBL30182792 0.88 NPY5R (0.39) NPY5RNPC1RAB9AKDM4EMAPT
SCHEMBL27237615 0.87 NPY5R (0.42) NPY5RNPC1RAB9AKDM4EMAPT
SCHEMBL30224906 0.86 ALDH1A1 (0.38) EGFRCSF1RNPY5RKDM4EMAPT

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
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed